797 VA Computrace

Software Version 1.3.x

Manual
8.797.8002EN
Metrohm AG
CH-9101 Herisau
Switzerland
Phone +41 71 353 85 85
Fax +41 71 353 89 01
[email protected]
www.metrohm.com

797 VA Computrace
Software Version 1.3.x

Manual

8.797.8002EN 08.2009 zst

Teachware
Metrohm AG
CH-9101 Herisau
[email protected]

This documentation is protected by copyright. All rights reserved.

Although all the information given in this documentation has been
checked with great care, errors cannot be entirely excluded. Should you
notice any mistakes please send us your comments using the address
given above.
Documentation in additional languages can be found on http://prod-
ucts.metrohm.com under Literature/Technical documentation.
 Table of contents

Table of contents
1 Introduction ......................................................... 1
1.1 Purpose of program................................................................ 1
1.2 General information................................................................ 2
Hardware requirements for the PC................................................. 2
Demo version................................................................................. 2
Registration ................................................................................... 2
1.3 Installation.............................................................................. 2
Installation of the hardware........................................................... 2
Installation of Dosing Devices ........................................................ 3
Installation of 863 Compact VA Autosampler ................................ 4
Installation of 838 Advanced Sample Processor ............................. 5
Deinstallation................................................................................. 6
1.4 Overview of program windows .............................................. 6
1.5 Overview of file types ............................................................. 7
1.6 Context sensitive menus ......................................................... 8

2 Main window ....................................................... 9

2.1 Main window overview .......................................................... 9
Main window elements ................................................................. 9
Main window menus ..................................................................... 9
Main window icons ..................................................................... 10
2.2 Starting/closing the program................................................ 11
Starting the VA Computrace program.......................................... 11
Closing the VA Computrace program........................................... 11
2.3 File menu .............................................................................. 12
Method files ................................................................................ 12
Determination files ...................................................................... 12
Export/Import of Data with Autodatabase ................................... 13
Signal files ................................................................................... 14
Printing of reports and curves ...................................................... 15
Program exit ................................................................................ 15
2.4 Mode menu ........................................................................... 15
Exploratory mode selection.......................................................... 15
Determination mode selection ..................................................... 15
2.5 Utility menu .......................................................................... 16
Computrace control selection ...................................................... 16
Dosing Device control selection ................................................... 16
Pump control selection ............................................................... 16

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 Table of contents

Film deposition selection.............................................................. 16

Cleaning procedure selection ....................................................... 16
2.6 User menu ............................................................................. 16
Login ........................................................................................... 16
User rights ................................................................................... 17
User rights overview .................................................................... 20
2.7 Settings menu ....................................................................... 20
General settings........................................................................... 20
Dosing settings ............................................................................ 23
Automation ................................................................................. 25
GLP.............................................................................................. 29
Database settings ........................................................................ 33
Save settings................................................................................ 34
2.8 Window menu....................................................................... 34
Tiling of windows ........................................................................ 34
Opening and closing of program windows .................................. 34
Display settings for Main window ................................................ 35

3 General settings for exploratory and

determination mode .......................................... 36
3.1 Electrodes ............................................................................. 36
MME............................................................................................ 36
DME ............................................................................................ 36
SMDE........................................................................................... 37
HMDE .......................................................................................... 38
RDE/SSE ....................................................................................... 39
3.2 VA measurement modes ....................................................... 40
DP – Differential Pulse.................................................................. 40
SqW – Square Wave .................................................................... 42
DC – Sampled Direct Current ....................................................... 44
NP – Normal Pulse (for "Exploratory" only)................................... 46
CV – Cyclic Voltammetry.............................................................. 48
PSA – Potentiometric Stripping Analysis....................................... 50
CCPSA – Constant Current Potentiometric Stripping Analysis....... 51
AC – Alternating Current Voltammetry ........................................ 53
CVS - Cyclic Voltammetric Stripping............................................. 55
CPVS - Cyclic Pulse Voltammetric Stripping .................................. 57
3.3 Potentiostat .......................................................................... 59
3.4 General operation sequence.................................................. 60
Overview of operation sequence.................................................. 60
Stirring......................................................................................... 61
Purging........................................................................................ 61
Conditioning of solid state electrodes .......................................... 62
Pretreatment ............................................................................... 62
Stand-by potential ....................................................................... 63
3.5 Graphical settings ................................................................. 64
Curve window elements .............................................................. 64
Page properties............................................................................ 64

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Axis properties............................................................................. 65
Curve properties .......................................................................... 67
Line properties............................................................................. 68

4 Exploratory mode .............................................. 70

4.1 Exploratory mode overview.................................................. 70
Exploratory mode features........................................................... 70
Exploratory mode selection.......................................................... 70
Exploratory mode windows ......................................................... 70
4.2 Exploratory specification window ........................................ 71
Exploratory specification settings ................................................. 71
Load/save signals ......................................................................... 72
Transfer parameters and data ...................................................... 73
Performing exploratory measurements ........................................ 73
4.3 Exploratory curves ................................................................ 74
Exploratory curves window .......................................................... 74
Load signal curves........................................................................ 75
Select signal curves ...................................................................... 75
Zooming ...................................................................................... 76
Auto scaling................................................................................. 76
Swap axes ................................................................................... 76
Graphical properties for exploratory curves.................................. 76
Copy to clipboard ........................................................................ 77
Save as enhanced metafile........................................................... 77
Change labels .............................................................................. 77
Clear signal curves ....................................................................... 77
Signal cursor ................................................................................ 77
Peak search ................................................................................. 78
Edit baseline ................................................................................ 82
Wave evaluation .......................................................................... 83
4.4 Printing in exploratory mode................................................ 84

5 Determination mode .......................................... 86

5.1 Determination mode overview.............................................. 86
Determination mode features ...................................................... 86
Determination mode selection ..................................................... 86
Determination mode windows..................................................... 86
5.2 Working method specifications ............................................ 87
Load/save methods...................................................................... 87
Working method specifications window ...................................... 88
Determination.............................................................................. 90
Voltammetric ............................................................................... 93
Substances................................................................................... 94
Baseline ....................................................................................... 98
Calculations ................................................................................. 99
Calculation Window .................................................................. 100
Variable addition ....................................................................... 102
Concentrations of calibration solutions ...................................... 103
Documentation.......................................................................... 104

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Export........................................................................................ 105
Dosing Devices .......................................................................... 107
5.3 Monitor ............................................................................... 108
Start determination.................................................................... 108
Stop/Hold determination ........................................................... 109
Monitor determination .............................................................. 110
Message windows during determination ................................... 111
Graphical properties for monitoring curves ................................ 117
Copy to clipboard ...................................................................... 118
5.4 Determination curves .......................................................... 118
Load/save determinations .......................................................... 118
Copy parameters to working method ........................................ 120
Determination curves window ................................................... 120
Edit determination method parameters...................................... 121
Specifications............................................................................. 121
Determination............................................................................ 123
Voltammetric ............................................................................. 123
Substances................................................................................. 123
Calculations ............................................................................... 123
Export........................................................................................ 123
Edit addition parameters............................................................ 124
Edit baseline .............................................................................. 124
Zooming .................................................................................... 125
Auto scaling............................................................................... 126
Swap axis .................................................................................. 126
Show baselines .......................................................................... 126
Show unknown peaks................................................................ 126
Show spikes............................................................................... 126
Graphical properties for determination curves ........................... 126
Graphical properties for calibration curves ................................. 127
Copy/export graphics................................................................. 127
5.5 Results ................................................................................ 129
Results window overview........................................................... 129
Header....................................................................................... 130
Determination data.................................................................... 130
Method data.............................................................................. 130
Sample data............................................................................... 130
Substance evaluation ................................................................. 131
Peak evaluation ......................................................................... 131
Calibration data ......................................................................... 132
Solutions.................................................................................... 132
Final results................................................................................ 133
Copy text to clipboard ............................................................... 133
5.6 Sample table ....................................................................... 134
Load/save sample table.............................................................. 135
Edit sample table ....................................................................... 136
5.7 Printing in determination mode.......................................... 137
5.8 Data processing and evaluation .......................................... 138
Data transfer.............................................................................. 138

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Data acquisition......................................................................... 138

Background compensation ........................................................ 139
Smoothing and differentiation ................................................... 139
Peak recognition........................................................................ 139
Baseline calculation.................................................................... 140
Evaluation quantity calculation .................................................. 141
Content calculation.................................................................... 142
Dilution calculation .................................................................... 143
Standard addition calculation .................................................... 143
Rules for standard addition ........................................................ 145
Calibration curve calculation ...................................................... 145
Rules for calibration curves ........................................................ 148
Formula calculation.................................................................... 149

6 Electroplating Bath VA .................................... 150

6.1 Electroplating Bath VA – Introduction ................................ 150
6.2 Calibration techniques with CVS and CPVS......................... 150
Standard addition plating bath .................................................. 150
LAT Record intercept value ........................................................ 154
LAT Standard addition for brighteners ....................................... 158
MLAT Standard addition for brighteners .................................... 164
DT Suppressors with calibration curve........................................ 168
DT Record calibration curve ....................................................... 174
RC Sample with response curve ................................................. 179
RC Record response curve.......................................................... 183
6.3 Different settings and options with CVS and CPVS ............ 188
Pretreatment with CVS and CPVS .............................................. 189
Initial mixing time with CVS and CPVS ....................................... 189
Conditioning cycles with CVS and CPVS..................................... 190
Initial electrode conditioning ..................................................... 190
Result details with CVS and CPVS .............................................. 191
6.4 Some Definitions used with CVS and CPVS......................... 192
VMS (Virgin Make-up Solution) .................................................. 193
Intercept solution....................................................................... 193
Intercept value........................................................................... 193
Production bath solution ........................................................... 194
Addition ratio ............................................................................ 194
Evaluation ratio.......................................................................... 194
Begin of evaluation.................................................................... 194
Contamination potential ............................................................ 195
Chloride potential ...................................................................... 195
Calibration factor Z .................................................................... 195
Suppressor................................................................................. 195
Brightener.................................................................................. 195
Electrolyte solution .................................................................... 196

7 Manual control................................................. 197

7.1 Computrace control ............................................................ 197
Computrace control selection .................................................... 197

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Computrace control window ..................................................... 197

7.2 Dosing Device control ......................................................... 199
Dosing Device control selection ................................................. 199
Dosino control window ............................................................. 199
7.3 Pump control ...................................................................... 200
Pump control selection .............................................................. 200
Pump control window ............................................................... 200
7.4 Film deposition ................................................................... 201
Film deposition selection............................................................ 201
Film deposition window............................................................. 201
7.5 Cleaning procedure ............................................................. 203
Cleaning procedure selection ..................................................... 203
Cleaning procedure window ...................................................... 203

8 How to ...? ....................................................... 205

8.1 Installation and program start............................................ 205
Install Dosing Devices for automatic addition............................. 205
Switch on the instruments and start program ............................ 205
8.2 User rights .......................................................................... 206
Define a new user...................................................................... 206
Change user rights..................................................................... 206
8.3 Signals in exploratory mode ............................................... 206
Load a signal curve .................................................................... 206
Save a signal curve..................................................................... 207
Save signal curves automatically ................................................ 207
Record a signal curve ................................................................. 207
Evaluate signal peaks automatically ........................................... 208
Evaluate signal peaks manually .................................................. 208
Evaluate signal waves ................................................................ 209
Print signal curves and/or voltammetric parameters ................... 209
8.4 Methods in determination mode......................................... 209
Load a method .......................................................................... 209
Copy parameters from determination methods.......................... 210
Copy parameters from signal files .............................................. 210
Save the working method.......................................................... 210
Edit the working method ........................................................... 210
Modify methods for automatic background compensation........ 211
8.5 Determinations with voltammetric trace analysis............... 211
Load a determination................................................................. 211
Save a determination ................................................................. 212
Automatically save determinations............................................. 212
Perform a determination............................................................ 212
Perform a test determination with the Pb test method .............. 213
Perform determinations using the 863 Compact VA Autosampler214
Perform VA determinations using the 838 Advanced Sample
Processor ................................................................................... 215
838 method for trace analysis.................................................... 216
Recalculate an existing determination........................................ 217

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Print determination results and curves ....................................... 218

8.6 Analyze Electroplating Bath Solutions................................ 218
Introduction............................................................................... 218
Choose the mode in Electroplating Bath VA............................... 219
Choose the Calibration technique in Electroplating Bath VA ...... 219
Operate a sequence in Electroplating Bath VA ........................... 223
Brightener Analysis with 838 Advanced Sample Processor and
"MLAT"...................................................................................... 224
Brightener Analysis with 838 Advanced Sample Processor and
"LAT"......................................................................................... 228
Suppressor Analysis with 838 Advanced Sample Processor and DT234
Suppressor Analysis with 838 Advanced Sample Processor and RC239
8.7 Standard addition technique .............................................. 245
Use manual standard addition without solution exchange ......... 245
Use manual standard addition with solution exchange .............. 246
Use automatic standard addition ............................................... 247
8.8 Calibration curve technique ................................................ 248
Record calibration curve manually by adding standard solution . 248
Record calibration curve manually with solution exchange ........ 249
Record calibration curve automatically....................................... 250
Measure a sample using a calibration curve ............................... 252
8.9 Work with film electrodes .................................................. 252
Deposit a mercury film............................................................... 252
Remove a mercury film .............................................................. 253
8.10 Diagnostic procedures ........................................................ 253
Check the purging ..................................................................... 253
Check the stirring....................................................................... 254
Check the MME ......................................................................... 254
Check theRDE ............................................................................ 254
Perform a linearity test with the dummy cell .............................. 254
Perform a peak test with the dummy cell................................... 255
Perform a GLP Validation ........................................................... 256

9 Troubleshooting............................................... 257
9.1 General procedure for error messages................................ 257
9.2 Connection problems .......................................................... 257
Error message "Could not start the embedded system" ............. 257
9.3 Software problems ............................................................. 257
Error message "Name or password incorrect" ............................ 257
Error message "The file 'ecousb.sys' is needed" ......................... 257
Wrong language in Help............................................................ 257
Error message "Please select a new database file" ..................... 258
9.4 Dosing Device problems...................................................... 258
Dosing Device does not work .................................................... 258
Irreproducible standard additions with a Dosing Device............. 258
9.5 General rules for VA trace analysis ..................................... 259
Chemicals and equipment.......................................................... 259

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Electrolytes ................................................................................ 259

Standard solutions ..................................................................... 259
Samples ..................................................................................... 260
Blank values, contamination ...................................................... 260
Selection of VA Measurement mode.......................................... 260
9.6 Voltammetric problems....................................................... 262
Low background current or unstable baseline............................ 262
Curves with high noise............................................................... 263
SqW Problems ........................................................................... 263
Standard addition curves are not reproducible........................... 264
Peak displacement ..................................................................... 265
No peak found........................................................................... 265
Peak is in the highest μA range.................................................. 266
Double peak .............................................................................. 266
Standard addition peaks displaced............................................. 267
No addition ............................................................................... 267
Spikes / signal jump in voltammogram....................................... 268
Oxygen interference .................................................................. 268
Unsuitable bridging electrolyte in the reference electrode.......... 269
Overloading of the working electrode........................................ 269
Disturbances at the HMDE through gas formation..................... 271
Complex formation .................................................................... 272
Peak on highly curved baseline .................................................. 273
Peak overlapping ....................................................................... 273
Calibration with chemically non-isoformal standards ................. 274
Results not reproducible ............................................................ 274

Software license.................................................... 276

Declaration of conformity – Software validation .. 278
Index ..................................................................... 279

VIII 797 VA Computrace – Software

 1.1 Purpose of program

1 Introduction

1.1 Purpose of program

«797 VA Computrace Software 1.3.x» is the name of the control
software for the PC-controlled 797 VA Computrace System for
voltammetric analysis. This system consists of the following parts:
1.797.0010 VA Computrace Stand with accessories
6.2151.020 USB Cable
6.6053.030 797 VA Computrace Software 1.3.x
For a detailed description of the hardware components of the 797
VA Computrace System, see the 797 Hardware Manual.
This 797 Software Manual describes the features and operation
procedures of the 797 VA Computrace Software 1.3.x, which com-
prises the clearly arranged user interface with a task bar that can
be clicked for control of the instrument, method development and
the recording and evaluation of the voltammograms.
Depending on the objective, the 797 VA Computrace Software
1.3.x can be used in two different operating modes:
• The exploratory mode for qualitative analysis is suitable
for practice-oriented voltammetry training at universities, tech-
nical colleges and in plants. It allows the user to apply ten dif-
ferent VA measurement techniques and to compare their re-
sults.
• The determination mode is used for quantitative analy-
sis of inorganic or organic substances. Calibration can be done
via standard addition or calibration curves. Additionally, a mul-
titude of electroplating bath calibration techniques are avail-
able. Signal evaluation and concentration calculation are auto-
matic. On completion of the measurement, a report can be
compiled to suit individual requirements and printed out. The
most important methods for the determination of metals or
other substances can be called up directly. All curves appearing
on the screen, i.e. voltammograms and calibration curves plus
the results can be transferred to other Windows applications
via the Windows Clipboard. Data export in ASCII format is also
possible.

797 VA Computrace – Software 1

 1 Introduction

1.2 General information

Hardware requirements for the PC
Computer Pentium III with 1 GHz or higher
Operating system Windows™ 2000, Windows™ XP Pro-
fessional, Windows™ Vista Profes-
sional
Free space on hard disk 40 MB for program files
Working memory RAM 256 MB
Graphics resolution 1024×768 or more
Interface 1 free USB connection
Printer Any printer supported by operating
system

Note: Set the screen saver to "None" and deactivate any energy
saving features. Additionally, do not use several other programs
together with VA Computrace.

Demo version
If the 797 VA Computrace Software 1.3.x (6.6053.030) is installed
on a PC without installation of VA Computrace stand, this software
can be used as a demo version, which is restricted to the recalcula-
tion of determination or signal files.

Registration
Please send us your 8.797.8027 Registration card as soon as
possible. Only registered users will get updated program versions at
a special price.

1.3 Installation
Installation of the hardware
1. Switch on PC and start operating system (Windows™ 2000,
Windows™ XP Professional, Windows™ Vista Professional)
without connection of the VA Computrace via USB cable.
2. Insert installation CD into CD drive.
3. If the autorun option for the CD drive is disabled, select <Start>
and Run. Browse for the Setup.exe file on the installation CD
and click on <OK>.
4. Click on "797" and follow the instructions given in the setup
program.
5. The software package will be installed in the desired directory
(the default directory is Program Files/Metrohm/797 VA Compu-
trace). In addition to the program files, the following folders
are installed:

2 797 VA Computrace – Software

 1.3 Installation

Data
Folder for storage of new signal (*.sig) and deter-
mination files (*.dth). In Windows Vista, this folder
is stored in ProgramData/Metrohm/797 VA Com-
putrace.
Demo data
Folder containing signal and determination file ex-
amples. The subfolder CVS contains examples for
the electroplating bath analysis, the subfolder
Practical Voltammetry all examples of the
8.757.5003 Metrohm Monograph "Practi-
cal Voltammetry", which is available from
Metrohm on request. In Windows Vista, this folder
is stored in ProgramData/Metrohm/797 VA Com-
putrace.

Note: The signal and determination file examples are

installed as read-only.

Firmware
Folder for storage of new files (*.exe) for a firm-
ware update.
Hardware
Folder for storage of firmware files (*.x).
Method
Folder for storage of method files (*.mth). You find
some basic examples in the Method folder and
more examples in the subfolders Application Bulle-
tin, Application Notes and CVS. In Windows Vista,
this folder is stored in ProgramData/Metrohm/797
VA Computrace.
XML
Folder for storage of files which are needed for
viewing XML files in a browser.
6. Connect VA Computrace to the PC using the 6.2151.020
USB cable. The PC detects a new USB device and starts the
setup wizard. Insert installation CD into CD drive and follow the
wizard instructions always selecting the recommended default
options.
7. Start the 797 VA Computrace software.
8. In the login-window click Start measurements without entering
anything for Name and Password.

Installation of Dosing Devices

Up to seven Dosing Devices (possible: 700/800 Dosino, 685/805
Dosimat) can be connected to the MSB ports of the 797 VA Com-
putrace stand or (in case you installed one) the 846 Dosing Inter-
face.
Connection of Dosing Devices:
1. Switch off the 797 VA Computrace stand.

797 VA Computrace – Software 3

 1 Introduction

2. If required, connect the 846 Dosing Interface to one of the USB

ports of the 797 VA Computrace or the PC. Connect the 846
Dosing Interface to the mains supply.
3. Connect the Dosing Device via MSB connection to the 797 VA
Computrace stand or the 846 Dosing Interface.
4. Switch on the 797 VA Computrace stand.
5. Open 797 VA Computrace Software 1.3.x and log in.
6. Open the GENERAL SETTINGS window in MAIN WINDOW / Set-
tings, activate the Dosinos (or Dosing Interface) tab and click
the button.
7. Choose for menu item Prep/Empty via port the port which is
used for the functions "Prep" and "Empty". Recommended is
Port 3 (doesn't lead to the measuring cell but to a waste con-
tainer). Using Port 3 you can reduce contamination of the
measuring cell and the electrode. Moreover the dosing unit can
be rinsed and emptied faster.

Note: If you choose Port 3 for menu item Prep/Empty via

port, you must install an FEP Tubing Connection
6.1805.530 from Port 3 to a waste container.

8. Choose the number for No. of Prep cycles. It defines the num-
ber of "Prep-Cycles" conducted before starting the measure-
ment or before starting the sample table.

Installation of 863 Compact VA Autosampler

For automated voltammetric trace analysis it is possible to connect
an 863 Compact VA Autosampler, a 843 Pump Station and
up to three Dosing Devices (four more with a 846 Dosing Inter-
face) to the 797 VA Computrace stand. Proceed as follows:
1. Switch on the PC
2. Connect the 797 VA Computrace stand and the 843
Pump Station (Remote 1) using the cable 6.2141.280 (see
797 Hardware Manual).
3. Connect 863 Compact VA Autosampler and the 843
Pump Station (Remote 2) using cable 6.2141.230.
4. Install the accessories on the 863 Compact VA Autosam-
pler (see 797 Hardware Manual).
5. Connect the Dosing Devices to the 797 VA Computrace or the
846 Dosing Interface (via MSB).
6. Connect the 797 VA Computrace stand to the PC (via
USB).
7. Switch on the 797 VA Computrace stand, the 863 Com-
pact VA Autosampler and the 843 Pump Station.
8. Set Method 2 at the 863 Compact VA Autosampler (see
863 Instructions for Use).

4 797 VA Computrace – Software

 1.3 Installation

9. Start the 797 VA Computrace Software 1.3.x.

10. Set hardware settings for the 863 Compact VA Autosam-
pler.
11. Check the checkbox for Relay box / Pump Station on the Auto-
mation tab of the GENERAL SETTINGS window, and define
the default settings for the pumps.
12. Set hardware settings for Dosing Devices.
13. Define the addition or predose solution in the DOSINOS win-
dow.

Installation of 838 Advanced Sample Processor

To automate Electroplating bath analysis with CVS it is possible to
connect an 838 Advanced Sample Processor, a 843 Pump
Station and up to three Dosing Devices (four more with a 846
Dosing Interface) to the 797 VA Computrace stand. Additionally,
up to three Dosing Devices can be connected to the 838 Ad-
vanced Sample Processor via MSB (but they can't be controlled
by the 797 Software in that case). Proceed as follows
1. Switch on the PC.
2. Connect the 797 VA Computrace stand and the 843
Pump Station (Remote 1) using cable 6.2141.290 (see 797
Hardware Manual).
3. Connect the 838 Advanced Sample Processor and the
843 Pump Station (Remote 2) using cable 6.2141.290.
4. Install the accessories on the 838 Advanced Sample Proc-
essor (see 797 Hardware Manual).
5. Connect the Dosing Devices to the 797 VA Computrace or to
the 846 Dosing Interface (or the 838 Advanced Sample Proces-
sor) (via MSB).
6. Connect the 797 VA Computrace stand to the PC (via
USB).
7. Switch on the 797 VA Computrace stand, the 838 Ad-
vanced Sample Processor and the 843 Pump Station.
8. Specify a suitable method at the 838 Advanced Sample Proces-
sor and adjust it if necessary (see 838 Manual).
9. Start the 797 VA Computrace Software 1.3.x.
10. Choose the 838 Advanced Sample Processor for menu
item Sample Processor on the Automation tab of the GEN-
ERAL SETTINGS window, and check the field Relay box /
Pump Station on the Automation tab of the GENERAL SET-
TINGS window.
11. Make hardware settings for the 838 Advanced Sample
Processor, and define the default settings for the 843 Pump
Station.

797 VA Computrace – Software 5

 1 Introduction

12. Make hardware settings for Dosing Devices.

13. Define the addition or predose solution in the DOSINOS win-
dow.

Deinstallation
1. Select <Start> / Settings / Control panel.
2. Double-click the Software icon.
3. Select 797 VA Computrace in the list and click on
<Add/remove>. Select the Remove option and click on <Next>.
All program files and icons should be removed.

1.4 Overview of program windows

797 VA Computrace consists of different windows whose function-
ality is linked together. The different windows are:
MAIN WINDOW File administration, printing, mode se-
lection, opening of other program win-
dows, utilities, login and user rights,
settings, window handling
EXPLORATORY SPECIFICATIONS
Method definition for exploratory
mode
EXPLORATORY CURVES Display of exploratory mode curves and
curve evaluation
WORKING METHOD SPECIFICATIONS
Definition of the working method for
determination mode
MONITOR Start of determinations, live display
DETERMINATION CURVES Display of determination and calibra-
tion curves, modification and recalcula-
tion of determinations
RESULTS Display of determination reports
SAMPLE TABLE Display of sample table (only available
if "863 Compact VA Autosampler", or
"838 advanced Sample Processor" and
Use sample table is selected for Work-
ing method source on the Automation
tab of the GENERAL SETTINGS win-
dow)
COMPUTRACE CONTROL Manual control of 797 VA Computrace
stand
DOSINO CONTROL Manual control of Dosing Devices
(Possible: 700/800 Dosino, 685/805
Dosimat)

6 797 VA Computrace – Software

 1.5 Overview of file types

PUMP CONTROL Manual control of siphoning and rins-

ing pump
FILM DEPOSITION Program for Hg film deposition on
solid state electrodes
CLEANING PROCEDURE Program for cleaning procedures for
solid state electrodes

1.5 Overview of file types

The following file types are produced by the 797 VA Computrace
Software 1.3.x:
*.csv Text file in .csv-format (ASCII file) for data ex-
port
Results can be stored as .csv-file. CSV stands for
comma separated values, i.e. the entries of a file
are separated by a comma.
Text files in .csv-format suit perfectly for the im-
port in spreadsheets like Microsoft Excel.
The .csv-files are also used for data import into a
LIMS (Labor Information Management System).
*.dth Determination file (binary file)
Contains determination data and method.
The *.dth file is stored automatically in the Data
folder if the autosave option is enabled in the
GENERAL SETTINGS window.
*.mth Method file (binary file)
Contains the method.
*.sig Signal file (binary file)
Contains exploratory data and exploratory met-
hod. The *.sig file is stored automatically in the
Data folder if the autosave option is enabled in the
GENERAL SETTINGS window.
*.spt Sample table file (binary file)
Contains sample table data.
*.txt Text file (ASCII file) for data export
A *.txt file is produced if methods, results, meas-
urement points of determination files or meas-
urement points of signal files are exported.
In the case of methods, this data file contains a
block of working method and sample data follo-
wed by the voltammetric parameters block and a
peak evaluation block. On the bottom, it has a
block substance evaluation, a block baseline, a
block solutions and a block export options.
In the case of results, this data file contains a
block of determination data followed by a method
and a sample data block. On the bottom are a
substance evaluation, a solutions and a final re-

797 VA Computrace – Software 7

 1 Introduction

sults block.
In the case of determination point export,
this data file contains a block of the used method
parameters followed by the sweep blocks of X and
Y values each preceded by VR number and num-
ber of measurement points.
In the case of extended determination point
export, this data file contains a block of the used
method parameters followed by the voltammetric
parameters, a block peak evaluation, a block base-
line, a block solutions, a block export options and
the sweep blocks of X and Y values each preceded
by VR number and number of measurement
points.
In the case of signal points, this data file con-
tains a block of the used method parameters fol-
lowed by the sweep block of X and Y values pre-
ceded by the number of measurement points.
The *.txt files can be imported into spreadsheet
programs like Microsoft Excel.
*.xml Text file in .xml-format (ASCII file) for data
export
Results can be stored as .xml-file. The three files
CT797.css, CT797.xsd and CT797.xsl will be ex-
ported along. They are needed for viewing the re-
sults in a web browser.
The .xml-files are also used for data import into a
LIMS (Labor Information Management System).

1.6 Context sensitive menus

Most of the menu functions of the program windows are also ac-
cessible by clicking on the desired window or item and pressing the
right mouse button. The pop up windows have different con-
tents and functions depending on the selected active window or
item type.

8 797 VA Computrace – Software

 2.1 Main window overview

2 Main window

2.1 Main window overview

Main window elements

The MAIN WINDOW is the center of the 797 VA Computrace Soft-
ware 1.3.x. Its elements are the menu bar, the tool bar and the sta-
tus bar indicating user, method and determination.

Menu bar
Tool bar

Status bar

Logged-in Method in Determination in Sample table in Time

user working memory working memory working memory

Main window menus

File Loading, saving and export of method, determina-
tion and signal files; printing of reports and
curves, loading and saving of determinations with
the Autodatabase
Mode Switching between exploratory and determination
mode
Utility VA Computrace stand control; Dosino control;
pump control; film deposition and cleaning proce-
dure for solid state electrodes
User Login, user rights entry and overview
Settings General settings for saving, Autodatabase, au-
tomation, Dosing Devices, relay box, remote cont-
rol, GLP
Window Tiling, opening and closing of program windows
Help Call context-sensitive Help and Help contents

797 VA Computrace – Software 9

 2 Main window

Main window icons

It depends on the selected mode (exploratory or determination)
whether the following icons are displayed in the MAIN WINDOW or
not.

Exit the VA Computrace program.

Print reports and curves.

Switch to exploratory mode.

Switch to determination mode.

Load default parameters for exploratory or determination

mode.

Load existing method or signal file.

Save method or signal file.

Load existing determination file.

Save determination file.

Manual control of 797 VA Computrace stand.

Manual control of Dosing Devices connected to the 797

VA Computrace stand.

Manual control of pumps.

Open or close WORKING METHOD SPECIFICATIONS or EX-

PLORATORY SPECIFICATION window.

Open or close DETERMINATION CURVES window.

Open or close MONITOR window for determinations.

Open or close EXPLORATORY CURVES window.

Open or close RESULTS window for determinations.

Open or close SAMPLE TABLE window.

Start measurement.

Stop measurement.

Hold measurement.

10 797 VA Computrace – Software

 2.2 Starting/closing the program

Continue measurement.

Go to next step in operation sequence.

Help.

2.2 Starting/closing the program

Starting the VA Computrace program

Start the Program

Double-click the 797 VA Computrace icon or the
Ct797.exe file to start the 797 VA Computrace
program. The 797 VA COMPUTRACE LOGIN win-
dow appears.

Enter Name and Password and select the desired

option Start measurements for starting measure-
ments or Recalculate only for recalculation.

Note: After software installation, the program can be started with-

out entering Name and Password. For the definition of users, see
section 2.6 User rights.

Closing the VA Computrace program

MAIN WINDOW / File / Exit

Exit the VA Computrace program.
The program is also quit by clicking on in the
upper right part of the MAIN WINDOW.

797 VA Computrace – Software 11

 2 Main window

2.3 File menu

Method files
Method files (*.mth) contain all the specifications and parameters
for running a determination. They can only be loaded or saved in
the determination mode.

MAIN WINDOW / File / New method (Ctrl+N)

Load a standard template with the selected mode
for creating a new method.

MAIN WINDOW / File / Load method (Ctrl+O)

Load an existing method file. Normally, method
files are stored in the Method folder.

MAIN WINDOW / File / Save method (Ctrl+S)

Save the current method loaded in the working
memory. The old file will be overwritten.
MAIN WINDOW / File / Save method as ...
Save the current method loaded in the working
memory in a new file. Enter name and directory
for storage of the method file.
797 VA COMPUTRACE / File / Export method ...
Save the current method loaded in the working
memory into an ASCII file (extension *.txt). This file
contains all method parameters.

Determination files
Determination files (*.dth) contain the measurement data and the
specifications of the method used for the determination. They can
only be loaded or saved in the determination mode.

MAIN WINDOW / File / Load determination

Load an existing determination file. Normally, de-
termination files are stored in the Data folder.

MAIN WINDOW / File / Save determination

Save the current determination loaded in the wor-
king memory. The old file will be overwritten.
MAIN WINDOW / File / Save determination as ...
Save the current determination loaded in the
working memory in a new file. Enter name and di-
rectory for storage of the determination file.
MAIN WINDOW / File / Export determination points
Save the measurement points of all sweeps of the
current determination loaded in the working

12 797 VA Computrace – Software

 2.3 File menu

memory into a data file (extension *.txt). This data

file contains a block of the used method parame-
ters followed by the sweep blocks of X and Y val-
ues each preceded by VR number and number of
measurement points. The data files can be im-
ported into spreadsheet programs like Microsoft
Excel.
MAIN WINDOW / FILE / EXPORT EXTENDED DETERMINA-
TION POINTS...
In the case of extended determination point
export, this data file contains a block of the used
method parameters followed by the voltammetric
parameters, a block peak evaluation, a block base-
line, a block solutions, a block export options and
the sweep blocks of X and Y values each preceded
by VR number and number of measurement
points.
MAIN WINDOW / FILE / EXPORT RESULTS / CURRENT DE-
TERMINATION...
Save the results report of the current determina-
tion loaded in the working memory into an ASCII
file with extension *.txt, *.csv, or *.xml. This file
can be imported into spreadsheet programs like
Microsoft Excel (*.txt und *.csv) or in a LIMS (*.csv
and *.xml).
MAIN WINDOW / FILE / EXPORT RESULTS / DETERMINA-
TIONS...
Save the results report of the selected determina-
tion into an ASCII file with extension *.txt, *.csv,
or *.xml. This file can be imported into spread-
sheet programs like Microsoft Excel (*.txt und
*.csv) or in a LIMS (*.csv and *.xml).

Export/Import of Data with Autodatabase

MAIN WINDOW / File / Export To Database / Current De-
termination
Export the data from the current determination to
the database.
Procedure after starting Export To Database / Cur-
rent Determination:
If Ask for database file.. is activated for Manual
Transfer Mode on the Database tab in the GEN-
ERAL SETTINGS window, the SELECT DETERMI-
NATION DATABASE FILE window opens, and you
choose the database file where the current deter-
mination is stored.
If Use default database file.. is activated, the cur-
rent determination is stored automatically in the
Default database file.
MAIN WINDOW / File / Export To Database / Determination
Files..

797 VA Computrace – Software 13

 2 Main window

Export previously saved determination data to the

database.
Procedure after starting Export To Database / De-
termination Files..
The Select Determination Files window opens,
choose the determination(s) you want to export
and click <Open>.
If Ask for database file.. is activated for Manual
Transfer Mode on the Database tab in the GEN-
ERAL SETTINGS window, the SELECT DETERMI-
NATION DATABASE FILE window opens, and you
choose the database file where the selected de-
termination(s) is(are) stored.
If Use default database file.. is activated, the se-
lected determination(s) is(are) stored automatically
in the Default database file.

Note: If you work with the new program version «797 VA

Computrace Software 1.3.x» and try to export to a data-
base created with an old program version «797 VA Com-
putrace Software 1.X», an error message appears (see
Error message "Please select a new database file"). If you
work with the «797 VA Computrace Software 1.3.x», ex-
port only to databases created with «797 VA Computrace
Software 1.3.x».

MAIN WINDOW / File / Import from Database..

Import a determination from the database.

Note: Before importing: In your Autodatabase

software, open database file from which you want
to export a determination. Open next a report
template in the report window of your Autodata-
base software. Select then the determination in
the EXPLORER window first, before clicking on the
REPORT window to activate it (highlighted).

Signal files
Signal files (*.sig) contain the measurement data and specifications
of a signal recorded in the exploratory mode. They can only be
loaded or saved in this mode.

MAIN WINDOW / File / New parameters

Load default parameters for selected electrode
and measurement mode.

MAIN WINDOW / File / Load signal

Load an existing signal file. Normally, signal files
are stored in the Data folder.

14 797 VA Computrace – Software

 2.4 Mode menu

MAIN WINDOW / File / Save signal as ...

Save the current signal loaded in the working
memory in a new file. Enter name and directory
for storage of the signal file.
MAIN WINDOW / File / Export signal points
Save the measurement points of the sweep of the
current signal loaded in the working memory into
a data file (extension *.txt). This data file contains
a block of the used method parameters followed
by the sweep block of X and Y values preceded by
the number of measurement points. The data files
can be imported into spreadsheet programs like
Microsoft Excel.

Printing of reports and curves

MAIN WINDOW / File / Print (Ctrl+P)

Print reports and/or curves. Depending on the
mode selection, a window appears for selection of
the items to be printed (see section 4.4 Printing in
exploratory mode for exploratory mode, and sec-
tion 5.7 Printing in determination mode for de-
termination mode).
MAIN WINDOW / File / Printer setup
Selection of a printer and definition of paper size
and format.
MAIN WINDOW / File / Print GLP report
Print a GLP report created with the GLP Wizard.

Program exit

MAIN WINDOW / File / Exit

Quit the VA Computrace program.
The program is also quit by clicking on in the
upper right part of the MAIN WINDOW.

2.4 Mode menu

Exploratory mode selection

MAIN WINDOW / Mode / Exploratory

Switching to the exploratory mode for recording
and displaying of signals (see section 4).

Determination mode selection

MAIN WINDOW / Mode / Determination

Switching to the determination mode for recor-

797 VA Computrace – Software 15

 2 Main window

ding and displaying of determinations (see section

5).

2.5 Utility menu

Computrace control selection

MAIN WINDOW / Utility / Computrace control

Start manual control of 797 VA Computrace stand
(details see section 7.1).

Dosing Device control selection

MAIN WINDOW / Utility / Dosino control

Control of Dosing Devices (Possible: 700/800 Dos-
inos; 685/805 Dosimats) connected to the 797 VA
Computrace stand or to the 846 Dosing Interface
(details see section 7.2).

Pump control selection

MAIN WINDOW / Utility / Pump control

Start manual control of Pumps connected to the
797 VA Computrace stand. (details see section
7.3).

Film deposition selection

MAIN WINDOW / Utility / Film deposition
Start Hg film deposition for solid state electrodes
in the 797 VA Computrace stand (details see sec-
tion 7.4).

Cleaning procedure selection

MAIN WINDOW / Utility / Cleaning procedure
Start cleaning procedure for solid state electrodes
in the 797 VA Computrace stand (details see sec-
tion 7.5).

2.6 User menu

Login
MAIN WINDOW / User / Login
The 797 VA COMPUTRACE LOGIN window ap-
pears.

16 797 VA Computrace – Software

 2.6 User menu

Enter the desired Name and Password to login as

a new user and click OK.

Note: In case that the firmware of your 797 VA Compu-

trace stand is version 3.01 or older, the firmware update
dialog starts automatically after login. To update the firm-
ware, confirm each step with <OK> or <Next>. The infor-
mation about the version of the firmware can be gathered
from the window Info (this window can be opened via
MAIN WINDOW / Help / About 797 VA Computrace ... ).

User rights
The «VA Computrace» program has a security system based on a
list of user rights. For every user or user category, a password and
different access levels can be defined. We recommend to make a
new user list and enter passwords as a first action after system in-
stallation.
MAIN WINDOW / User / User rights
The USER RIGHTS window appears. It contains the
two tabs User Rights and User Directories.

797 VA Computrace – Software 17

 2 Main window

User
List of all users. The user rights are displayed for
the selected and highlighted user. The following
users with blank passwords are defined as default
examples:
Administrator
Access to all program parts and allow-
ance to change the user rights.
Analist
Read only access to working method,
curves/results and general settings.
Creator
Only access to Working method and Ex-
ploratory mode.
Measure
Read only access to working method,
curves/results, no access to general set-
tings and printing.
ReadOnly
Read only access to working method,
curves/results and general settings.
" " (empty)
Blank user. Access to all program parts
and allowance to change the user rights.
Name
Display of user name (read only). For addition of a
new user name click the <New> button.
Password [ max. 21 characters ]
Change password for user. A " * " is displayed for
each character entered.

18 797 VA Computrace – Software

 2.6 User menu

User rights
The different user rights options can be changed
for the selected user:
none No access to this program part.
R Permission to read in this program part.
R/W Permission to read/write in this program
part.
Change allowance
Permission to edit the user rights.

Add a new user to the users list. The ADD NEW

USER window appears.

Name [ max. 13 characters; ]

User name. This name is inserted in the User field
of all reports and results windows.
Password [ max. 21 characters ]
Enter password for user. A " * " is displayed for
each character entered.

Remove a user from the users list.

Note: GLP can only be started if there is no blank user. Blank user
has to be removed to apply GLP.

797 VA Computrace – Software 19

 2 Main window

Use default locations

Set default directories for Data folder and Method
folder.
Data folder
User specific folder for determination and signal
files. Use <Browse> to change the folder.
Method folder
User specific folder for method files. Use
<Browse> to change the folder.

User rights overview

MAIN WINDOW / User / Overview
The OVERVIEW window displaying the list of all
users appears.

Detailed user list with all user rights.

User list without user rights.

User list with small icons.

User list with large icons.

Help.

2.7 Settings menu

General settings
MAIN WINDOW / Settings / General Settings
On the General tab of the GENERAL SETTINGS
window general settings can be defined, e.g. for
automatic storage or for conducting electrode
tests.

20 797 VA Computrace – Software

 2.7 Settings menu

Auto save options

Auto save determination and signal
If this option is enabled, every signal or determina-
tion file is stored automatically in the data folder
(defined in the User Directories tab of the USER
RIGHTS window) after the end of the measure-
ment.
Save calibration curves additionally without date and time
If this option is enabled, every determination will
be saved twice, once with date/time and the de-
fined Sample ID (e.g. "07181430_Calibration-
Lead.dth"), and once only with the Sample ID (e.g.
"CalibrationLead.dth"). That enables automatically
overwriting of files.
Activation of this option enables automatic (re)ca-
libration of methods during an automated sample
run with a sample changer. It also enables auto-
matic re-determination of the "Intercept value"
with the LAT technique for analyzing electroplat-
ing baths.
This possibilities apply for the VA-Calibration
technique "Record calibration curve"; and the
electroplating bath Calibration techniques "DT Re-
cord calibration curve", "LAT Record intercept
value" and "RC Record response curve".

Options for CSV export

797 VA Computrace – Software 21

 2 Main window

Basic settings for the csv export.

Record delimiter
Selection of the characters which will separate the
determinations resp. results:
CR/LF
Carriage Return and Line Feed (standard)
CR
Only Carriage Return
LF
Only Line Feed
Field delimiter
Selection of the characters which will separate the
data fields:
Semicolon
Semicolon (standard)
Comma
Comma
Tab
Tabulator
Text qualifier
Selection of the character which defines a string
as text:
“
Double quote (standard)
‘
Single quote
none
no character
Electrode test
Selection of the electrode test settings.
Perform electrode test
If this option is activated, an electrode test is con-
ducted automatically before each determination:
When test fails
Wahl was bei missglücktem Test geschehen soll:
stop measurement
Stop determination.
continue measurement
Continue determination.
Audio files
Selection of the sound which should remind a user
of taking an action.

22 797 VA Computrace – Software

 2.7 Settings menu

Dosing settings
MAIN WINDOW / Settings / General Settings
On the Dosinos tab of the GENERAL SETTINGS
windows, the default settings for Dosing Devices
which are connected to the 797 VA Computrace
can be defined.
On the Dosing Interface tab of the GENERAL SET-
TINGS windows, the default settings for Dosing
Devices which are connected to the 846 Dosing
Interface can be defined. This tab is only displayed
if a 846 Dosing Interface is connected.

Dosinos / Dosing Interface

Settings for the Dosing Devices (possible: 700/800
Dosino, 685/805 Dosimat) connected to the 797
VA Computrace stand or the 846 Dosing Interface
(details see section 1.3 Installation of Dosing De-
vices).
Dosino no.
Defined by the number of the used MSB-port.

Dosino Device MSB

1 797 VA Computrace MSB1
2 797 VA Computrace MSB2
3 797 VA Computrace MSB3

797 VA Computrace – Software 23

 2 Main window

Dosino Device MSB

4 846 Dosing Interface MSB1
5 846 Dosing Interface MSB2
6 846 Dosing Interface MSB3
7 846 Dosing Interface MSB4

Volume Burette (mL) [read only]

Volume of the exchange unit of the Dosing De-
vice.
Type [read only]
Which Dosing Device is connected (possible:
700/800 Dosino, 685/805 Dosimat).
Dose rate (mL/min) [ 0.01 ... 166 mL/min (depending on
dosing/exchange unit); 2 mL/min ]
Dosing rate of the Dosing Device. The dose rate is
limited by the 3.333 fold volume of the burette
per minute.

Note: If the diameter of Tube out is smaller than

1 mm, the maximum Dose rate is generally limited
to 4 mL/min.

Fill rate (mL/min) [ 0.01 ... 166 mL/min (depending on dos-

ing/exchange unit); 3 * Volume Burette / min ]
Filling rate of Dosing Device.
Tube in
φ (mm)
Diameter of the tube going in the Dosing Device
(Dosino: Port 2).
length (cm)
Length of the tube going in the Dosing Device
(Dosino: Port 2).
Tube out
φ (mm)
Diameter of the tube going out the Dosing Device
(Dosino: Port 1).
length (cm)
Length of the tube going out the Dosing Device
(Dosino: Port 1).

Note: If a tube is removed and replaced by a tube

with a different diameter, change first the pa-
rameter Tube (in/out) φ (mm), and afterwards the
parameter Dose rate (mL/min).

Prep / Empty via port [ 1, 3 ; 1 ]

Choose the port which is used for the functions
"Prep" and "Empty". Recommended is Port 3
(does not lead to the measuring cell but to a

24 797 VA Computrace – Software

 2.7 Settings menu

waste container). Using Port 3 you can reduce

contamination of the measuring cell and the elec-
trode. Moreover the emptying can be conducted
faster.

Note: If you choose Port 3 for menu item

Prep/Empty via port, you must install an FEP
Tubing Connection 6.1805.530 from Port 3
to a waste container.

No. of Prep cycles [ 0, 1, ... ,5 ; 0 ]

Define the number of "Prep-Cycles" for the respec-
tive Dosino.
If you work with a sample table, the defined
number of "Prep Cycles" is conducted at the be-
ginning of the sample table. Exception: With the
two DT Calibration techniques "DT Record calibra-
tion curve" and "DT Suppressors with calibration
curve", Dosino 3 is "preped" at the beginning of
every determination (with or without sample ta-
ble).
If you work without sample changer, the de-
fined number of "Prep Cycles" is conducted at the
beginning of each determination. If you work
without sample changer it is recommended to set
this parameter on 0, and conduct "Preps" manu-
ally.

Refresh
Update of the Dosing Device connections.

Default
Set the Dosing Device parameters back to their
default values.

Automation
MAIN WINDOW / Settings / General Settings
In the GENERAL SETTINGS window default set-
tings for the operation of a 863 Compact VA
Autosampler / 838 Advanced Sample Proc-
essor and the 731 Relay Box to control two
772 Pump Units / 823 Membrane Pump
Units or the 843 Pump Station can be defined
with the Automation tab.

797 VA Computrace – Software 25

 2 Main window

With 843:

With 838:

26 797 VA Computrace – Software

 2.7 Settings menu

Sample handling
Define the default settings of a connected used
automation unit.
Sample processor [ read only ]
Select the connected sample processor.
Time to change sample [ > 25 s ; 30 s ] (only with the 863
Compact VA Autosampler)
During that time, the rack is changed to the next
position and the needle is immersed into the sam-
ple solution. It is the time between first and sec-
ond remote signal that are sent from 797 Com-
putrace to the Autosampler (see 863 Manual).
Sample transfer time (s) [ > 20 s ; 300 s (with 863) / 9999 s
(with 838) ]
With 863: Time to transfer the sample solution
from the sample vessel to the measurement vessel
using the peristaltic pump of the 863 Compact VA
Autosampler.
With 838: During that time the 797 Computrace
waits for an incoming signal (Handshake) from the
838 Advanced Sample Processor. That signal indi-
cates that the sample has been changed and
transferred to the measuring vessel.
Working method source [ use sample table, repeat current
method ]
Define the sample sequence. With use sample ta-
ble, the working method can be defined individu-
ally for each sample. With repeat current method
the current working method is taken for all sam-
ples.
Delay next sample
Define the waiting period between measuring two
samples.
Repeat sample table, delay (h) (only applicable with use
sample table)
Check the checkbox if you want to repeat the
sample sequence, and define the waiting period.
Number of samples (-1 for infinity) (only with repeat cur-
rent method)
Define the number of samples you want to meas-
ure.
Purge and stir during sample transfer
Check the checkbox if you want to purge the
sample during transfer to the measurement vessel.
Dose auxiliary solution via sample processor
If you want to add solutions via Dosinos con-
nected to the 838 Advanced Sample Processor,
this box must be checked to ensure the operation

797 VA Computrace – Software 27

 2 Main window

of the program at the 838 Advanced Sample Proc-

essor.
Rinsing
Define the default settings of a possibly used
pump unit.
Relay box / Pump Station
Check the checkbox if a 843 Pump Station or a
731 Relay Box with 772 Pump Units or 823 Mem-
brane Pump Units is connected.
Automatic rinsing
Check the checkbox to rinse automatically.
Note: If Automatic rinsing is activated, the mea-
suring cell is siphoned off at the beginning of
every determination. If you work with manual
sample addition, the sample should not be added
until the siphoning process has finished and the
message window PLACE SAMPLE appears.

No. of rinsing cycles

Number of rinsing cycles.
Default: 3
Siphoning time (s)
For each rinsing cycle, the measuring vessel is si-
phoned off during that time, using a 843 Pump
Station (or 823 Membrane Pump Unit).
Default: 25 s
Rinsing time (s)
For each rinsing cycle, the measuring vessel is
rinsed during that time, using a 772 Pump Unit (or
823 Membrane Pump Unit).
Default: 8 s
Remote control (not accessible with 863 Compact VA Autosampler)
Define the communication with connected de-
vices.
Remote start
797 VA Computrace waits for an incoming signal
to start the measurement.
End of sample
Send a signal after measuring the sample.
End of sample table
Send a signal at the end of the sample table (only
accessible if use sample table is activated for
Working method source) (the signal stops the 838
Advanced Sample Processor).

Test the 863 Compact VA Autosampler, or

838 Advanced Sample Processor with the set
automation parameters.

28 797 VA Computrace – Software

 2.7 Settings menu

Note: Before starting the test, switch on either 863 Compact VA

Autosampler(set Method 2) or the 838 Advanced Sample Processor
(set method VA, and enter the position of the first sample vessel
for the 838 parameter "SAMPLE" with the 838 keypad), and
place two sample vessels filled with water on the sample rack.

For details on the use of the 863 Compact VA Autosampler, or

the 838 Advanced Sample Processor see 863 Manual, 838
Manual.

GLP

GLP Settings
MAIN WINDOW / Settings / General Settings
The GLP settings for the Computrace and Dosing
Devices can be defined on the GLP tab of the
GENERAL SETTINGS window.
Computrace
GLP Control
Check the checkbox to apply GLP control to the
Computrace.
Validation interval (days)
Define the period between two validations.
Display a message [ .. ] days before the validation
expires.
Define, how long before the expiring date a war-
ning message is displayed.
Action, if validation expires
You can choose between just showing a warning
Show warning only, or stopping the measure-
ments Stop measurements.

Starts the GLP Wizard

Note: Clicking resets the validation in-

terval.

Dosinos
GLP Control
Check the checkbox to apply GLP control to the
Dosing Devices (Testing of Dosing Devices can
only be done by your Metrohm agency).
Next certification of Dosino no. 1..7 (days)
Displays days left to next certification of the spe-
cific Dosing Device.
Display a message [ .. ] days before the certifica-
tion expires.

797 VA Computrace – Software 29

 2 Main window

Define, how long before the expiring date a war-

ning message is displayed.
Action, if validation expires
You can choose between just showing a warning
Show warning only, or stopping the measure-
ments Stop measurements.

Note: GLP can only be started if there is no “blank user”. “Blank

user” has to be removed to apply GLP.

GLP Wizard

Clicking the button on the GLP tab of the GENERAL

SETTINGS window starts the GLP Wizard. The GLP Wizard window
opens, and you can check which parts you want to execute.
Diagnostics
Performs several tests of the hardware of your in-
strument. You can choose which test should be
performed in the DIAGNOSTICS window.

Note: Occasional purging and stirring tests should

be done as “Check the purging”(see section
8.10 Check the purging) or “Check the stirring”
(see section 8.10 Check the stirring), and not with
the GLP Wizard (not to overwrite GLP data). It is
also possible to do the whole Diagnostics proce-
dure outside of the GLP Wizard: Click DIAGNOS-
TICS in MAIN WINDOW / HELP to open the DIAG-
NOSTICS window.

Dummy cell tests

Performs an electronic validation of the 797 VA
Computrace.

Note: Occasional linearity and peak tests should

be done as “Perform a linearity test with the
dummy cell”(see section 8.10 Perform a linearity
test with the dummy cell) or “Perform a peak
test with the dummy cell” (see section 8.10
Perform a peak test with the dummy cell), and
not with the GLP Wizard (not to overwrite GLP
data).

Electrode test
Performs a validation of all three electrodes of the
797 VA Computrace.

30 797 VA Computrace – Software

 2.7 Settings menu

Note: Occasional electrode tests should be done

with in the COMPUTRACE CONTROL
window and not with the GLP Wizard (not to
overwrite GLP data).

Validation of a chosen method

Performs a validation of accuracy and precision us-
ing Standard Operating Procedures (SOP).

Note: When the GLP Wizard is executed, the current GLP data that
is stored in the software and in the 797 VA Computrace instrument
is overwritten.

GLP Diagnostics
1. If you check (only) the Diagnostics checkbox on the GLP Wizard
page of the GLP WIZARD window and press <continue>, you
get to the Diagnostics page of the GLP WIZARD window.
2. Press <continue> one more time, and the DIAGNOSTICS win-
dow opens.
3. In the DIAGNOSTICS window you can choose manually or with
the menu select which tests will be done. Press <Start> to get
the testing started.
4. After completion you can save the data with Save Report as in
the File menu. You can print it with Print Report in the File
menu.
5. Leave the DIAGNOSTICS window with Exit in the File menu.
6. The Summary of GLP validation page of the GLP WIZARD win-
dow opens.
7. Press <Finish>.

Note: Metrohm recommends to check all 4 procedures on the GLP

Wizard page of the GLP WIZARD window . The tests are progressed
in the order as listed. It is also possible to do the whole Diagnostics
procedure outside of the GLP Wizard: Click Diagnostics in MAIN
WINDOW / HELP to open the DIAGNOSTICS window.

GLP Dummy Cell Tests

1. If you check (only) the Dummy cell tests checkbox on the GLP
Wizard page of the GLP WIZARD window and press <continue>,
you get to the Dummy Cell Test_L page of the GLP WIZARD
window.
2. Proceed as described and press <continue> one more time; the
MONITOR window opens.

797 VA Computrace – Software 31

 2 Main window

3. After testing, the results are shown In the Dummy Cell Test_L
page of the GLP WIZARD window.
4. Press <continue> one more time; the Dummy Cell Test_D page
of the GLP WIZARD window opens.
5. Proceed as described and press <continue> one more time; the
MONITOR window opens.
6. After testing, the results are shown In the Dummy Cell Test_D
page of the GLP WIZARD window.
7. Press <continue> one more time; the Summary of GLP valida-
tion page of the GLP WIZARD window opens.
8. Press <Finish>.

Note: Metrohm recommends to check all 4 procedures on the GLP

Wizard page of the GLP WIZARD window . The tests are progressed
in the order as listed.

GLP Electrode tests

1. If you check (only) the Electrode test checkbox on the GLP Wiz-
ard page of the GLP WIZARD window and press <continue>,
you get to the Electrode Test page of the GLP WIZARD win-
dow.
2. Proceed as written and press <continue> one more time; the
Result part of the Electrode Test page of the GLP WIZARD win-
dow opens.
3. Press <continue> one more time; the Summary of GLP valida-
tion page of the GLP WIZARD window opens.
4. Press <Finish>.

Note: Metrohm recommends to check all 4 procedures on the GLP

Wizard page of the GLP WIZARD window . The tests are progressed
in the order as listed.

GLP Validation of a chosen method

1. If you check (only) the Validation of a chosen method checkbox
on the GLP Wizard page of the GLP WIZARD window and press
<continue>, you get to the Validation of Standard Method
page of the GLP WIZARD window.
2. Choose the method Test Pb in standard solution.mth (or any
other predefined method from the Method folder) and press
<continue>.
3. Choose Number of measurements. The Analyte content is auto-
matically read from the method.

32 797 VA Computrace – Software

 2.7 Settings menu

Note: The working method parameters cannot be changed

during the GLP validation. Optimization of the method should
be done before the GLP validation.

4. Press <continue> one more time; the PLACE SAMPLE window

opens. Fill the measurement vessel as defined and press <Ok>,
the MONITOR window opens and the measurement starts.
5. The Result part of the Validation of Standard Method page of
the GLP WIZARD window opens.
6. Press <continue> one more time; the Summary of GLP valida-
tion page of the GLP WIZARD window opens.
7. Press <Finish>.

Note: Metrohm recommends to check all 4 procedures on the GLP

Wizard page of the GLP WIZARD window . The tests are progressed
in the order as listed.

Database settings
MAIN WINDOW / Settings / General Settings
The Database settings can be defined on the Da-
tabase tab on the GENERAL SETTINGS window.

Note: If you work with the new program version «797 VA

Computrace Software 1.3.x» and try to export to a databa-
se created with an old program version «797 VA Compu-
trace Software 1.X», an error message appears (see Error
message "Please select a new database file"). If you work
with the «797 VA Computrace Software 1.3.x», export only
to databases created with «797 VA Computrace Software
1.3.x».

Manual Transfer Mode

Use default database file when exporting determinations
Determinations are stored directly in the default
database if you export them via MAIN MENU / File
/ Export To Database.
Ask for database file when exporting determinations
If you export determinations via MAIN MENU / File
/ Export To Database the SELECT DETERMINATION
DATABASE FILE window opens, and you choose
the database file where the current determination
is stored.

Note: The automatic database export directly after deter-

minations is defined on the sheet Export of the working
method.

797 VA Computrace – Software 33

 2 Main window

Save settings
MAIN WINDOW / Settings / Save now
This function saves the actual settings of the soft-
ware: Open windows, window position and size,
general settings.
MAIN WINDOW / Settings / Save on exit
If this function is enabled, the software settings
are stored when the software is quit.

2.8 Window menu

Tiling of windows
MAIN WINDOW / Window / Tile
All opened windows are tiled.

Opening and closing of program windows

MAIN WINDOW / Window / Working method specification

(F6)
The WORKING METHOD SPECIFICATIONS window
will be opened or (if it is already open) closed (see
section 5.2) (F6 only works, if the Main Window is
selected).

MAIN WINDOW / Window / Monitor (F7)

The MONITOR window will be opened or (if it is
already open) closed (see section 5.3) (F7 only
works, if the Main Window is selected).

MAIN WINDOW / Window / Determination curves (F8)

The DETERMINATION CURVES window will be
opened or (if it is already open) closed (see section
5.4) (F8 only works, if the Main Window is selec-
ted).

MAIN WINDOW / Window / Results (F9)

The RESULTS window will be opened or (if it is al-
ready open) closed (see section 5.5 (F9 only
works, if the Main Window is selected)).

797 VA COMPUTRACE / Window / Sample table (F10)

The SAMPLE TABLE window will be opened or (if
it is already open) closed (see section 5.6) (F10
only works, if the Main Window is selected).

MAIN WINDOW / Window / Exploratory specification (F11)

The EXPLORATORY SPECIFICATION window will
be opened or (if it is already open) closed (see sec-

34 797 VA Computrace – Software

 2.8 Window menu

tion 4.2) (F11 only works, if the Main Window is

selected).

MAIN WINDOW / Window / Exploratory curves (F12)

The EXPLORATORY CURVES window will be ope-
ned or (if it is already open) closed (see section
4.3) (F12 only works, if the Main Window is selec-
ted).
The opened windows are marked with a checkbox
sign.

Display settings for Main window

MAIN WINDOW / Window / Status bar
Switch on/off display of status bar in the MAIN
WINDOW.
MAIN WINDOW / Window / Toolbar
Switch on/off display of toolbar in the MAIN WIN-
DOW

797 VA Computrace – Software 35

 3 General settings for exploratory and determination mode

3 General settings for explora-

tory and determination mode

3.1 Electrodes

MME
MME stands for Multi-Mode Electrode and is the working elec-
trode commonly used in the 797 VA Computrace stand. It combi-
nes the most important polarographic and voltammetric mercury
electrodes in a single construction:
DME Dropping mercury electrode
SMDE Static mercury drop electrode
HMDE Hanging mercury drop electrode
For installation and maintenance of the Multi-Mode Electrode, see
Hardware Manual.

DME

DME is an electrode mode of the Multi-Mode Electrode and stands

for Dropping Mercury Electrode. It is the classical mercury
electrode where the mercury flows out freely from the glass capil-
lary until the mercury drop is knocked off by a tapping mechanism
after each Voltage step time set in the measurement mode.

36 797 VA Computrace – Software

 3.1 Electrodes

Hg drop
surface

t
Voltage step time

Notes:
• In the exploratory mode, the DME can be used for the meas-
urement modes DC, NP, DP and AC. In the determination mo-
de, the DME can be used for the measurement modes DP and
AC.
• An advantage of the DME compared with the SMDE is that the
MME capillary is subjected to less mechanical stress.
• A disadvantage of the DME compared with the SMDE and
HMDE is the higher mercury consumption and the lower sensi-
tivity as the electrode surface constantly changes during the
measurement phase.

SMDE

SMDE is an electrode mode of the Multi-Mode Electrode and

stands for Static Mercury Drop Electrode. It combines the fea-
tures of the DME and the HMDE: as with the DME, the mercury
drops are constantly renewed, but during the measurement the
drop surface is constant as in the HMDE case. Each mercury drop is
knocked off by a tapping mechanism after the Voltage step time
set in the measurement mode.
Drop size [ 1...9 ; 4 ]
Size of the mercury drop (surface 0.15 mm2...0.60 mm2).

Hg drop
surface

t
Drop size Voltage step time
× 40 ms

797 VA Computrace – Software 37

 3 General settings for exploratory and determination mode

Notes:
• In the exploratory mode, the SMDE can be used for the mea-
surement modes DC, NP, DP and AC. In the determination mo-
de, the SMDE can be used for the measurement modes DP and
AC.
• An advantage of the SMDE compared with the DME is its grea-
ter sensitivity as the electrode surface and hence the baseline
remains constant during the measurement. Further, less mer-
cury is needed. On the other hand, the MME capillary is sub-
jected to greater mechanical stress than with the DME.
• A disadvantage of the SMDE compared with the HMDE is the
higher mercury consumption, in addition the MME is subjected
to greater mechanical stress.

HMDE

HMDE is an electrode mode of the Multi-Mode Electrode and

stands for Hanging Mercury Drop Electrode. Four mercury
drops of defined size are formed in succession at the MME. The last
drop remains suspended and the entire voltage sweep is performed
on this single stationary drop, in general with preceding deposition
(stripping voltammetry).
Drop size [ 1...9 ; 4 ]
Size of the mercury drop (surface 0.15 mm2...0.60 mm2).

Hg drop
surface

t
Drop size
× 40 ms

Notes:
• The HMDE can be used for all measurement modes except
CPVS.
• The HMDE is primarily used for very sensitive stripping voltam-
metry in which the analyte species is not measured until it has
first been electrochemically enriched.

38 797 VA Computrace – Software

 3.1 Electrodes

RDE/SSE

RDE stands for Rotating Disk Electrode and is used for direct
and stripping determinations with Solid State Electrodes (SSE).
Stirrer/RDE (rpm) [ 0...3000 rpm ; 2000 rpm ]
Revolutions per minute of the rotating disk electrode. The
stirring of the RDE remains active during all preparation pro-
cedure steps until the start of sweep.

Surface

Notes:
• The RDE can be used for all measurement modes.
• For the 797 VA Computrace stand, a drive shaft with different
electrode tips is available as an option (see Hardware Manual).
• For installation and maintenance of the RDE, see Hardware
Manual.

797 VA Computrace – Software 39

 3 General settings for exploratory and determination mode

3.2 VA measurement modes

DP – Differential Pulse
General:
DP or Differential Pulse voltammetry is the most universal
and frequently used voltammetric measurement mode. It is equally
well suited for irreversible and reversible systems and offers a high
sensitivity. The DP measurement mode can be set for the ex-
ploratory and determination mode by selecting DP - Differential
pulse for the Mode parameter in the EXPLORATORY SPECIFICATION
or WORKING METHOD SPECIFICATIONS window.

Description:
For DP voltammetry, rectangular pulses with a constant amplitude
are superimposed on a stepwise rising direct voltage ramp. The cur-
rent i is measured as a function of the voltage U immediately be-
fore the pulse and at the end of the pulse. From the differences be-
tween the two current measurements, peak-shaped curves are ob-
tained which are evaluated using linear, polynomial, horizontal or
exponential baselines.

t (i1) t (i2) t (i1) t (i2)

U
Voltage step
Pulse
amplitude
Pulse
Start potential time Voltage step time

t
i
Peak i = i2 - i1
height

Peak voltage U

40 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the voltage sweep.
Pulse amplitude (V) [ -1...+1 V ; 0.05 V ]
Pulse amplitude of the voltage pulse superimposed on the di-
rect voltage (pos. values = same direction; neg. values = re-
versed direction with respect to the scan direction).
Pulse time (s) [ > 500 μs ; 0.04 s ]
Time interval during which a voltage pulse is superimposed
on the direct voltage.
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Voltage step time (s) [ > 0 s ; 0.4 s ]
Time interval after which the voltage in the sweep is in-
creased or decreased by the amount Voltage step.
Sweep rate (V/s) [ read only ]
Display of the ramp slope calculated as Voltage step / Voltage
step time.
Notes:
• The DP measurement mode can be used with all types of elec-
trodes.
• The following conditions apply to the definition of the Voltage
step time:
Voltage step time > Pulse time + 10 ms (HMDE/RDE)
Voltage step time > Pulse time + 220 ms (DME)
Voltage step time > Pulse time + Drop size × 40 ms + 200 ms
(SMDE)
• The measurement time t (i) is defined as follows:
Pulse time ≥ 40 ms → t (i) = 20/16.67 ms ((power frequency
50/60 Hz)
Pulse time < 40 ms → t (i) = 0.5 × Pulse time

797 VA Computrace – Software 41

 3 General settings for exploratory and determination mode

SqW – Square Wave

General:
SqW or Square Wave voltammetry is primarily suitable for re-
versible electrode processes. It is used particularly for sensitive
stripping voltammetric determinations at the HMDE or RDE. The
SqW measurement mode can be set for the exploratory and deter-
mination mode by selecting SqW - Square wave for the Mode pa-
rameter in the EXPLORATORY SPECIFICATION or WORKING
METHOD SPECIFICATIONS window.

Description:
For SqW voltammetry, a square wave alternating voltage with a
small, constant amplitude is superimposed on a stepwise rising di-
rect voltage ramp. The current i is measured as a function of the
voltage U at the maximum and minimum of the square wave volt-
age. The phase dependent differences between the two current
measurements give peak-shaped curves which are evaluated using
linear, horizontal, polynomial or exponential baselines.

t (i1) t (i2) t (i1) t (i2)

Voltage step Amplitude

Start potential

Voltage step time = 1 / Frequency

t
i
i = i2 - i1
Peak
height

Peak voltage U

42 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the voltage sweep.
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Amplitude (V) [ > 0...+1 V ; 0.02 V ]
Voltage amplitude of the square wave voltage superimposed
on the direct voltage.
Frequency (Hz) [ > 0...2000 Hz ; 50 Hz ]
Frequency of the superimposed square wave voltage, which
defines the voltage step time (Voltage step time = 1 / Fre-
quency).
Sweep rate (V/s) [ read only ]
Display of the ramp slope calculated as Voltage step × Fre-
quency.

Notes:
• The SqW measurement mode can only be used with HMDE or
RDE electrodes.
• If your curves have high noise, put Highest current range and
Lowest current range in the POTENTIOSTAT window on the
same level (see section 9.6 SqW Problems)
• The following condition applies to the definition of the Voltage
step time:
Frequency ≤ 2000 Hz ⇒ Voltage step time ≥ 500 µs
• The measurement time t (i) is defined as follows:
Voltage step time ≥ 80 ms → t (i) = 20/16.67 ms (power fre-
quency 50/60 Hz)
Voltage step time < 80 ms → t (i) = 0.5 × Voltage step time

797 VA Computrace – Software 43

 3 General settings for exploratory and determination mode

DC – Sampled Direct Current

General:
DC or Sampled Direct Current voltammetry is the classic,
simplest voltammetric measurement mode with limited sensitivity.
It is mainly used for the investigation of reversible redox systems.
The DC measurement mode can be set for the exploratory and de-
termination mode by selecting DC - Sampled direct current for the
Mode parameter in the EXPLORATORY SPECIFICATION or WOR-
KING METHOD SPECIFICATIONS window.

Description:
For DC voltammetry, the direct voltage applied to the working elec-
trode is continuously changed and the resultant current i which
flows measured as a function of the voltage U. For DME and SMDE
this normally provides wave-shaped curves which can be evaluated
in the exploratory mode using the tangent method.

t (i) t (i)
U

Voltage step

Start potential Voltage step time

Wave current

Half-wave voltage U

44 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the voltage sweep.
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Voltage step time (s) [ > 0 s ; 0.4 s ]
Time interval after which the voltage in the sweep is increa-
sed or decreased by the amount Voltage step.
Sweep rate (V/s) [ read only ]
Display of the ramp slope calculated as Voltage step / Voltage
step time.

Notes:
• The DC measurement mode can be used with all types of elec-
trodes except for DME and SMDE in the determination mode.
• The following conditions apply to the definition of the Voltage
step time:
Voltage step time > 270 μs (HMDE/RDE)
Voltage step time > 220 ms (DME)
Voltage step time > Drop size × 40 ms + 200 ms (SMDE)
• The measurement time t (i) is defined as follows:
t (i) = 20/16.67 ms (power frequency 50/60 Hz)

797 VA Computrace – Software 45

 3 General settings for exploratory and determination mode

NP – Normal Pulse (for "Exploratory" only)

General:
NP or Normal Pulse voltammetry is the classic pulse voltam-
metric measurement mode with direct recording of the current. It is
equally well suited for irreversible and reversible systems and offers
a higher sensitivity than the DC voltammetry. The NP measurement
mode can only be set for the exploratory mode by selecting NP -
Normal pulse for the Mode parameter in the EXPLORATORY SPECI-
FICATION window.

Description:
For NP voltammetry, square-wave pulses with an increasing ampli-
tude are superimposed on a constant base voltage. The current i is
measured as a function of the voltage U at the end of the pulse.
This normally provides wave-shaped curves which can be evaluated
using the tangent method.

t (i) t (i)

U
Voltage
step
Start potential

Base potential
Pulse
time Voltage step time

Wave current

Half-wave voltage U

46 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the voltage sweep.
Base potential (V) [ -5...+5 V ; -0.9 V ]
Base voltage for voltage sweep.
Pulse time (s) [ ≥ 500 μs ; 0.04 s ]
Time interval during which an increasing voltage pulse is su-
perimposed on the base voltage.
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Voltage step time (s) [ > 0 s ; 0.4 s ]
Time interval after which the voltage in the sweep is in-
creased or decreased by the amount Voltage step.
Sweep rate (V/s) [ read only ]
Ramp slope calculated as Voltage step / Voltage step time.

Notes:
• The NP measurement mode can be used with all types of elec-
trodes (but only in the exploratory mode!).
• The following conditions apply to the definition of the Voltage
step time:
Voltage step time > Pulse time + 10 ms (HMDE/RDE)
Voltage step time > Pulse time + 220 ms (DME)
Voltage step time > Pulse time + Drop size × 40 ms + 200 ms
(SMDE)
• The measurement time t (i) is defined as follows:
Pulse time ≥ 40 ms → t (i) = 20/16.67 ms (power frequency
50/60 Hz)
Pulse time < 40 ms → t (i) = 0.5 × Pulse time

797 VA Computrace – Software 47

 3 General settings for exploratory and determination mode

CV – Cyclic Voltammetry
General:
CV or Cyclic voltammetry is mainly used to investigate the re-
versibility of electrode processes and for kinetic studies. The CV
measurement mode can be set for the exploratory and determina-
tion mode by selecting CV - Cyclic voltammetry for the Mode pa-
rameter in the EXPLORATORY SPECIFICATION or WORKING
METHOD SPECIFICATIONS window.

Description:
For cyclic voltammetry, the voltage is once or several times chan-
ged at a constant sweep rate to the end potential and then decrea-
sed at the same rate back to the start potential. The current i is
measured as a function of the voltage U. The curve registered in
the last cycle is stored and its peaks can be evaluated using linear,
polynomial, horizontal or exponential baselines.

First Vertex potential

Voltage
step time

Start potential
Voltage step

Second Vertex potential

ian

icath

48 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
First vertex potential (V) [ -5...+5 V ; -0.1 V ]
First turning point for the potential sweep.
Second vertex potential (V) [ -5...+5 V ; -0.9 V ]
Second turning point for the potential sweep (Can be differ-
ent from the Start potential).
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Sweep rate (V/s) [ > 0 V/s ; 0.1 V/s ]
Ramp slope = Voltage step / Voltage step time.
No. of sweeps [ > 0 ; 1 ]
Number of cyclic sweeps to be performed.
Save last ... sweeps]
Number of cycles to be saved.
Note: Total number of saved sweeps is number of Save last
sweeps multiplied with No. of replications.

Notes:
• The CV measurement mode can only be used with HMDE or
RDE electrodes.
• The following condition applies to the definition of Voltage
step and Sweep rate:
Voltage step time = Voltage step / Sweep rate > 270 μs
• The measurement time t (i) is defined as follows:
Voltage step time ≥ 80 ms → t (i) = 20/16.67 ms (power fre-
quency 50/60 Hz)
Voltage step time < 80 ms → t (i) = Voltage step time / 4 (Volt-
age step time = Voltage step / Sweep rate)

797 VA Computrace – Software 49

 3 General settings for exploratory and determination mode

PSA – Potentiometric Stripping Analysis

General:
PSA or Potentiometric stripping analysis with chemical oxi-
dation is mainly used to determine substances in an organic matrix
with the aid of mercury film electrodes without prior digestion. The
PSA measurement mode can be set for the exploratory and deter-
mination mode by selecting PSA - Potentiometric stripping analysis
for the Mode parameter in the EXPLORATORY SPECIFICATION or
WORKING METHOD SPECIFICATIONS window.

Description:
In PSA measurement mode, the analytes are deposited at the work-
ing electrode with the constant Deposition potential during a pre-
determined Deposition time. Then the applied deposition potential
is switched off and the voltage U is measured as a function of the
time t with a sampling rate of 69.69 kHz. The measurement time is
limited either by the set Potential limit or the Maximum time. The
voltage measurement U vs t is used to calculate the retention times
dt/dU vs U. This results in peak-shaped curves which can be evalu-
ated. The Peak voltage is characteristic of the substance, the Peak
area is proportional to its concentration.

U
Deposition potential

Potential limit

t
Deposition time Maximum time

dt/dU
Peak
area

Peak voltage U

50 797 VA Computrace – Software

 3.2 VA measurement modes

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Potential limit (V) [ -5...+5 V ; -0.2 V ]
Voltage limit for PSA sweep.
Maximum time (s) [ > 0 ; 20 s ]
Time limit for PSA sweep.

Notes:
• The PSA measurement mode should only be used with RDE
electrodes (mainly with Hg film).

CCPSA – Constant Current Potentiometric Stripping Analysis

General:
CCPSA or Constant Current Potentiometric stripping
analysis with oxidation by an applied constant current is mainly
used to determine substances in an organic matrix with the aid of
mercury film electrodes without prior digestion. The CCPSA measu-
rement mode can be set for the exploratory and determination mo-
de by selecting CCPSA – Constant Current Potentiometric stripping
analysis for the Mode parameter in the EXPLORATORY SPECIFICA-
TION or WORKING METHOD SPECIFICATIONS window.

Description:
In CCPSA measurement mode, the analytes are deposited at the
working electrode with the constant Deposition potential during a
predetermined Deposition time. Then the applied deposition poten-
tial is switched off and a constant current is applied. The voltage U
is measured as a function of the time t with a sampling rate of
69.69 kHz. The measurement time is limited either by the set Po-
tential limit or the Maximum time. The voltage measurement U vs t
is used to calculate the retention times dt/dU vs U. This results in
peak-shaped curves which can be evaluated. The Peak voltage is
characteristic of the substance, the Peak area is proportional to its
concentration.

797 VA Computrace – Software 51

 3 General settings for exploratory and determination mode

U
Deposition potential

Potential limit

t
Deposition time Maximum time

dt/dU
Peak
area

Peak voltage U

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Potential limit (V) [ -5...+5 V ; -0.2 V ]
Voltage limit for PSA sweep.
Maximum time (s) [ > 0 ; 20 s ]
Time limit for PSA sweep.
Stripping current (A) [ > 4e-009 ; 1e-005 ]
Constant current, applied for stripping after switching off the
potential.

Notes:
• The CCPSA measurement mode should only be used with RDE
electrodes (mainly with Hg film).

52 797 VA Computrace – Software

 3.2 VA measurement modes

AC – Alternating Current Voltammetry

General:
AC or Alternating Current voltammetry is primarily suitable
for reversible electrode reactions. It is virtually completely insensi-
tive to irreversible reactions. The AC measurement mode can be set
for the exploratory and determination mode by selecting AC - Al-
ternating current voltammetry for the Mode parameter in the EX-
PLORATORY SPECIFICATION or WORKING METHOD SPECIFICA-
TIONS window.
Description:
For AC voltammetry, a digitally generated sinusoidal alternating
voltage with a small, constant amplitude and a low frequency is
superimposed on a stepwise rising direct voltage ramp. The first or
second harmonic wave of the alternating current component i pro-
duced by the alternating voltage is measured as a function of the
voltage U. The current measurements give peak-shaped (AC1) or
sinusoidal shaped (AC2) curves which can be evaluated using lin-
ear, polynomial, horizontal or exponential baselines.

U Voltage step

Modulation time

Voltage step time

t

AC1 AC2

1 / Frequency 1 / Frequency
i Amplitude × √ 2 i
U U

i+ i+ i-
Phase angle Phase angle

i i = Σ (i+) / n i i = Σ (i+ - i-) / n

Peak
height

Peak voltage U Half-wave voltage U

797 VA Computrace – Software 53

 3 General settings for exploratory and determination mode

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; off ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; -0.9 V ]
Start voltage for the voltage sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the voltage sweep.
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Voltage step time (s) [ > 0 s ; 0.8 s ]
Time interval after which the voltage in the sweep is increa-
sed or decreased by the amount Voltage step.
Amplitude (V) [ -1...+1 V ; 0.01 V ]
Voltage amplitude of the sine wave voltage superimposed on
the direct voltage (rms value).
Modulation time (s) [ > 0 s ; 0.05 s ]
Time period during which the sine wave voltage is superim-
posed on the direct voltage.
Frequency (Hz) [ > 0...2000 Hz ; 50 Hz ]
Frequency of the superimposed sine wave voltage.
Phase sensitive [ on, off ; on ]
Enable/disable phase sensitive current measurement.
(deg) [ -180/-90...+180/+90° ; 0° ]
Phase shift of the alternating current in regard to the alternat-
ing voltage. For AC1 the maximum phase angle is ± 180°, for
AC2 ± 90°.
2nd harmonic [ on, off ; off ]
Enable/disable second harmonic current measurement (AC2).
Notes:
• The AC measurement mode can be used with all types of elec-
trodes.
• The following condition applies to the definition of the Modula-
tion time:

54 797 VA Computrace – Software

 3.2 VA measurement modes

Voltage step time > Modulation time + 450 ms (HMDE/RDE)

Voltage step time > Modulation time + 470 ms (DME)
Voltage step time > Modulation time + Drop size * 40 ms + 450
ms (SMDE)
• Modulation time > 2 / Frequency
• The measurement time t (i) is defined as follows:
t (i) = Modulation time / 2

CVS - Cyclic Voltammetric Stripping

General:
CVS or Cyclic Voltammetric Stripping is used to determine
organic additives in electroplating electrolytes. The CVS measuring
mode can be set for the exploratory and determination mode by
selecting CVS - Cyclic Voltammetric Stripping for the Mode parame-
ter in the EXPLORATORY SPECIFICATION or WORKING METHOD
SPECIFICATIONS window.

Description:
For Cyclic Voltammetric Stripping, the potential of an RDE (e.g. Pt)
is cycled at a constant rate in a plating bath. The current i is meas-
ured as a function of the voltage U. The curves registered in the
last cycles are stored and its peaks can be evaluated using linear,
polynomial, horizontal or exponential baselines.

Cleaning

Conditioning

Stripping
Plating
t

ian

Stripping

Cleaning

Conditioning
Plating

icath

797 VA Computrace – Software 55

 3 General settings for exploratory and determination mode

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; on ]

Enable/disable stirring of the RDE/SSE during the sweep.
Start potential (V) [ -5...+5 V ; 1.625 V ]
First turning point for the potential sweep.
Note: The Start potential needs to be between the First ver-
tex potential and the Second vertex potential.

First vertex potential (V) [ -5...+5 V ; -0.175 V ]

First turning point for the potential sweep.
Second vertex potential (V) [ -5...+5 V ; 1.625 V ]
Second turning point for the potential sweep (Can be differ-
ent from the Start potential).
Voltage step (V) [ > 0 V ; 0.006 V ]
Voltage step for direct voltage ramp.
Sweep rate (V/s) [ > 0 V/s ; 0.1 V/s ]
Ramp slope = Voltage step / Voltage step time.
No. of sweeps [ > 0 ; 3 ]
Number of cyclic sweeps to be performed.
Save last ... sweeps [ > 0 ; 2 ]
Number of cycles to be saved.
Note: Total number of saved sweeps is number of Save last
sweeps multiplied with No. of replications.

Notes:
• The CVS measurement mode is mainly used with RDE elec-
trodes. HMDE is possible.
• The following condition applies to the definition of Voltage
step and Sweep rate:
Voltage step time = Voltage step / Sweep rate > 270 μs
• The measurement time t (i) is defined as follows:
Voltage step time ≥ 80 ms → t (i) = 20/16.67 ms (power fre-
quency 50/60 Hz)
Voltage step time < 80 ms → t (i) = Voltage step time / 4 (Volt-
age step time = Voltage step / Sweep rate)

56 797 VA Computrace – Software

 3.2 VA measurement modes

CPVS - Cyclic Pulse Voltammetric Stripping

General:
CPVS or Cyclic Pulse Voltammetric Stripping is used to de-
termine organic additives in electroplating electrolytes. The CPVS
measuring mode can be set for the exploratory and determination
mode by selecting CPVS - Cyclic Pulse Voltammetric Stripping for
the Mode parameter in the EXPLORATORY SPECIFICATION or
WORKING METHOD SPECIFICATIONS window.

Description:
For Cyclic Pulse Voltammetric Stripping, the potential of an RDE
(e.g. Pt) is changed between different potentials in pulsed, discrete
steps in a plating bath. The current i is measured as a function of
the time t. The curves registered in the last cycles are stored and its
peaks can be evaluated using linear or horizontal baselines.

U
Cleaning

Conditioning Stripping

Plating
t

ian

Stripping
Conditioning Cleaning

Plating t

icath

797 VA Computrace – Software 57

 3 General settings for exploratory and determination mode

Sweep parameters:

Hydrodynamic (measurement) [ on, off ; on ]

Enable/disable stirring of the RDE/SSE during the sweep.
Equilibration potential (V) [ -5...+5 V ; 0.45 V ]
Voltage applied to the electrodes during the Equilibration
time.
Equilibration time (s) [ 0...80600 s ; 5 s ]
During that time, the Equilibration potential is applied to the
electrodes. If the checkbox Hydrodynamic (measurement) is
not checked, the stirrer is switched off during that time.
Plating potential (V) [ -5...+5 V ; -0.25 V ]
Set voltage for the plating period.
Plating time (s) [ > 0 s ; 4 s ]
Length of plating period.
Edit stripping steps
Edit the stripping steps. Check a checkbox to establish a
stripping step, define a potential Potential (V) (default: 0.25,
1.125, 1.475, 1.625 V) and a step time Step time (s) (default:
10, 1, 1, 5 s).
End cleaning potential (V) [-5...+5 V; 1.625 V ]
Voltage of the cleaning period.
End cleaning time (s) [ > 0 s ; 5 s ]
Voltage of the cleaning period.
Interval time (s) [ 0.001…1 s ; 0.01 s ]
Interval time between to data points.
No. of sweeps [ > 0 ; 3 ]
Number of cyclic sweeps to be performed.
Save last ... sweeps [ > 0 ; 2 ]
Number of cycles to be saved.
Note: Total number of saved sweeps is number of Save last
sweeps multiplied with No. of replications.

58 797 VA Computrace – Software

 3.3 Potentiostat

Notes:
• The CPVS measurement mode can only be used with RDE elec-
trodes.
• The measurement time t (i) is defined as follows:
Interval time ≥ 100 ms → t (i) = 20/16.67 ms (power frequency
50/60 Hz)
Interval time < 100 ms → t (i) = Interval time / 4

3.3 Potentiostat
The potentiostat built-in in the 797 VA Computrace stand normally
works with full sensitivity for current measurements from 5 pA to
80 mA. Depending on the measured current, the current range will
be selected automatically between the lowest and the highest cur-
rent range. For fast measurements with CV, CVS, SqW or DC is
helpful to limit the highest and/or lowest current range in order to
avoid disturbing current leaps.

Highest current range [ 10 nA, 1/10/100 μA, 1/10 mA ; 10 mA ]

Limitation of the highest current range.
Lowest current range [ 10 nA, 1/10/100 μA, 1/10 mA ; 100 nA ]
Limitation of the lowest current range.

Note: If you work with the SqW mode, you should define a fixed
current range to avoid detecting problems caused by quick swee-
ping and high current. Put Highest current range and Lowest cur-
rent range in the POTENTIOSTAT window on the same level (see
section 9.6 SqW Problems).

Because of the limited bandwidth of some current ranges, it is not

possible to freely select any Voltage step time or Frequency for a
distinct current range on the Voltammetric tab of the EDIT WOR-
KING METHOD PARAMETERS window.
The following table shows the possible values for the modes DP,
SqW**, AC, NP, DC, CV*, CVS*:

797 VA Computrace – Software 59

 3 General settings for exploratory and determination mode

Current range Voltage step time

10 nA > 50 ms
100 nA > 5 ms
1 μA > 0.5 ms
10 μA > 0.5 ms
100 μA > 0.5 ms
1 mA > 0.5 ms
10 mA > 0.5 ms
* CV and CVS: Voltage step time = Voltage step / Sweep rate
** SqW: Voltage step time = 1 / Frequency

3.4 General operation sequence

Overview of operation sequence

The general operation sequence for measurements is identical for
both the exploratory and the determination mode and includes the
following steps:
1. Electrode test
Testing of the electrodes (only for oerating mode «Determina-
tion»).
2. Stirring
Optional stirring of the sample solution during preparation pro-
cedures until start of the equilibration time (details see Stirring).
3. Purging
Optional purging of the sample solution during the Initial purge
time (details see Purging).
4. Drop formation
Hg drop formation at the MME if DME, SMDE or HMDE is se-
lected (details see section 3.1).
5. Conditioning cycles
Optional conditioning of solid state electrodes by applying cy-
clic conditioning sweeps (details see Conditioning of solid state
electrodes).
6. Cleaning
Optional cleaning of solid state electrodes by applying a clean-
ing potential during the Cleaning time (details see
Pretreatment).
7. Deposition
Optional electrochemical deposition for stripping voltammetry
during the Deposition time (details see Pretreatment).
8. Equilibration time
Waiting time before starting the sweep; with start potential
applied to the electrodes. If the checkbox Hydrodynamic (meas-

60 797 VA Computrace – Software

 3.4 General operation sequence

urement) is not checked, the stirrer is switched off during that

time (details see Pretreatment).
9. Voltage sweep
Start of the voltage sweep which depends on the selected
measurement mode (details see VA measurement modes, sec-
tion 3.2).
10. Stand-by potential
Optional apply of a Stand-by potential before the start and af-
ter the end of the voltage sweep (details see Stand-by poten-
tial).

Note: If you work with the electroplating bath modes CVS and
CPVS, the operation sequence is different (see section 8.6 Operate
a sequence in Electroplating Bath VA)

Stirring
If switched on (Stirrer > 0 rpm), the solution in the sample vessel at
the 797 VA Computrace stand is stirred during all preparation pro-
cedure steps until the start of the equilibration time.
Exception: Hydrodynamic measurements in the CV mode, where
the stirring continues during measurement.

Stirrer (rpm) [ 0...3000 rpm ; 2000 rpm ]

Revolutions per minute of the stirrer.

Purging
Purging means saturation of the analysis solution with an inert gas
and is used to remove the electrochemically active and hence inter-
fering oxygen. With the inert gas flow rate of ca. 20 l/h set on the
797 VA Computrace stand, a purging time of ca. 3...5 min. usually
suffices. For an effective purging of the analysis solution, the solu-
tion should also be stirred.

Initial purge time (s) [ 0...80600 s ; 300 s ] (Initial mixing time with
CVS and CPVS, see section 6.3 Initial mixing time with CVS
and CPVS)

797 VA Computrace – Software 61

 3 General settings for exploratory and determination mode

Time of inert gas purging before the first measurement of the

sample solution.

Conditioning of solid state electrodes

Solid state electrodes (particularly carbon electrodes) can be elec-
trochemically regenerated by a freely selectable number of condi-
tioning cycles. For every cycle, the voltage is changed at a sweep
rate of 1 V/s to the end potential and then decreased at the same
rate back to the start potential.

Start potential (V) [ -5...+5 V ; -1.2 V ]

Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Note: With the electroplating bath modes different default values

are set (see section 6.3 Conditioning cycles with CVS and CPVS)

Pretreatment
The pretreatment of the electrode before starting a sweep can con-
sist of the following three steps:
• The cleaning potential can be used to clean solid state
electrodes with a stationary surface which are contaminated
with the products of the electrode redox processes.
• The deposition potential is used for electrochemical en-
richment in stripping voltammetry.
• During the Equilibration time, the start potential of the
sweep is applied to the electrode.

62 797 VA Computrace – Software

 3.4 General operation sequence

Cleaning potential (V) [ -5...+5 V ; -0.1 V ]

Voltage applied to the electrodes during the Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ]
Time during which the Cleaning potential is applied to the
electrodes.
Deposition potential (V) [ -5...+5 V ; -0.9 V ]
Voltage applied to the electrodes during the Deposition time.
Deposition time (s) [ 0...80600 s ; 60 s ]
Time during which the Deposition potential is applied to the
electrodes.
Equilibration time (s) [ 0...80600 s ; 5 s ]
Waiting time before starting the sweep; with start potential
applied to the electrodes. If the checkbox Hydrodynamic
(measurement) is not checked, the stirrer is switched off dur-
ing that time.

Achtung: In the CVS and CPVS mode, no deposition is pos-

sible, and an own Equilibration potential can be defined (see
Pretreatment with CVS and CPVS). With CPVS, it is part of the
sweep.

Stand-by potential
The stand-by potential can be applied to the electrodes at the
end of the measurement. It remains in force until it is switched off
manually in the COMPUTRACE CONTROL window or until a new
voltage is applied to the electrodes in the next measurement.

Cell off after measurement [ on, off ; on ]

Enable/disable the switching off of the voltage applied to the
electrodes after measurement.
Stand-by potential (V) [ -5...+5 V ; -0.1 V ]
Voltage to be applied to the electrodes after measurement if
the Cell off after measurement box is not activated.
Note: If Cell off after measurement is not checked, and you
want to remove any electrode cable, the Stand-by potential
must be turned off by clicking the button on the
COMPUTRACE CONTROL window.

797 VA Computrace – Software 63

 3 General settings for exploratory and determination mode

3.5 Graphical settings

Curve window elements

All curve windows in the EXPLORATORY CURVES window, the DE-
TERMINATION CURVES window and in the MONITOR window have
the same elements which can be changed as desired in the GRA-
PHICAL PROPERTIES and the LINE PROPERTIES window (see be-
low).

Page properties
The page properties of all curve windows can be set with the page
tab of the GRAPHICAL PROPERTIES window.

64 797 VA Computrace – Software

 3.5 Graphical settings

Borders
Top [ ≥ 0 pt ; 40 pt (for determination curves)]
Left [ ≥ 0 pt ; 60 pt (for determination curves)]
Right [ ≥ 0 pt ; 20 pt (for determination curves)]
Bottom [ ≥ 0 pt ; 35 pt (for determination curves)]
Border size in points (distance between the curve
window frame and the graphical window frame
inside the curve window).
Colors

Color of border in the curve window.

Color of curve background in the curve window.

Color of frame of the curve window.

Title

Font for title in the curve window (no function in

the MONITORING window).

Font for subtitle in the curve window (no function

in the EXPLORATORY CURVES and MONITORING
window).

Axis properties
The axis properties for the x and y axis of all curve windows can be
set with the x axis or y axis tab of the GRAPHICAL PROPERTIES
window.

797 VA Computrace – Software 65

 3 General settings for exploratory and determination mode

Range (for x axis)

From [ -5...+5 ; -1 V ]
Lower limit for x axis (voltage)
(t(s) for CPVS, U(V) for all other measurement
modes)
To [ -5...+5 ; -1 V ]
Upper limit for x axis (voltage)
(t(s) for CPVS, U(V) for all other measurement
modes)
Range (for y axis)
From [ > 0 ; -1e-10 ]
Lower limit for y axis
(dt/dU (s/V) for PSA and CCPSA; I(A) for all other
measurement modes).
To [ > 0 ; 1e-10 ]
Upper limit for y axis
(dt/dU (s/V) for PSA and CCPSA; I(A) for all other
measurement modes).
Style

Font for description of the x or y axis.

Selection of line style of the x or y axis in the LINE

PROPERTIES window (see section 3.5 Line proper-
ties).

Font for labels of the x or y axis.

66 797 VA Computrace – Software

 3.5 Graphical settings

Format
Format for labels of the x or y axis. Check one of
the following options:
Decimal
± ##.### (floating point number)
Scientific
± #.### e ± ###
Engineering
± ###.## + prefix
Precision [ ≥ 0 ; 3 ]
Total number of significant digits for labels of the
x or y axis.
Ticks
Definition of major and minor ticks for x or y axis.
No. [ ≥ 0 ; 8 ]
Number of major or minor ticks for x or y axis. In
some cases this number will not be applied exactly
but be fitted automatically to the next possible
value for axis graduation.
Size [ ≥ 0 pt ; 6 pt ]
Size of major or minor ticks for x or y axis in
points.

Curve properties
The drawing properties for all curves can be set with the appropri-
ate ..... curve tab (Dynamic curve, Selected curve and Other curves
for the Exploratory curves; blank, sample and other curves for the
Determination curves; Monitor curve for the Monitor curves) of the
GRAPHICAL PROPERTIES window.

797 VA Computrace – Software 67

 3 General settings for exploratory and determination mode

Type
Line
Connect the measurement points by a straight
line.
Scattered
Draw a symbol for each measurement point.
Both
Connect the measurement points by a straight line
and draw a symbol for each point.
Line style

Selection of line style of the curve in the LINE

PROPERTIES window (see section 3.5 Line proper-
ties).
General
Drop line
Draw vertical lines between each measurement
point of the curve and bottom x axis.
Scatter style
Shape [ Dot, Box, Circle, Plus, X, Asterisk ; Plus ]
Selection of the symbol for drawing the measure-
ment points.
Size [ 1...12 ; 4 ]
Size of the symbol in points.

Color of the symbol.

Line properties
Definition of line properties for axes or curve lines. To get to the
window LINE PROPERTIES click in the window
GRAPHICAL PROPERTIES.

Style [ different styles ; Solid ]

Style of the line.
Width [ 0...8 ; 0 ]
Width of the line in points (0 = hair line).

68 797 VA Computrace – Software

 3.5 Graphical settings

Color of the line.

797 VA Computrace – Software 69

 4 Exploratory mode

4 Exploratory mode

4.1 Exploratory mode overview

Exploratory mode features

The program part "Exploratory" has been especially designed for
practice-oriented qualitative voltammetric analysis. It com-
prises ten different measurement techniques and is curve oriented.
You are shown voltammograms and the associated parameters in
two windows next to each other. The various voltammograms can
be superimposed on one another thus making comparison of the
curves extremely simple.
Peaks or waves of the measured curves can be evaluated automati-
cally or manually after setting the base points. Tracing the curves
with a cursor allows the measured current and voltage values to be
accessed.
Thanks to its possibilities, this program part is helpful in the devel-
opment and optimization of methods for the quantitative determi-
nation of substances. The optimized voltammetric parameters can
be transferred directly to the working method in the program part
"Determination".

Exploratory mode selection

MAIN WINDOW / Mode / Exploratory

Switching to the exploratory mode for recording
and displaying of signals.

Exploratory mode windows

MAIN WINDOW / Window / Exploratory specification (F11)

The EXPLORATORY SPECIFICATION window will
be opened or (if it is already open) closed.

MAIN WINDOW / Window / Exploratory curves (F12)

The EXPLORATORY CURVES window will be
opened or (if it is already open) closed.

70 797 VA Computrace – Software

 4.2 Exploratory specification window

4.2 Exploratory specification window

Exploratory specification settings

The EXPLORATORY SPECIFICATION window contains all settings for
performing measurements in the exploratory mode. Most of the
settings are identical for exploratory and determination mode and
are therefore described in section 3.

Signal Selection of a signal file to be shown with

the Selected signal properties. As long as a
signal is selected, the settings can not be ed-
ited.
By clicking the button <Edit>, the currently
loaded settings can be changed. The selec-
tion of the signal is repealed. The settings
can be transferred to the window WORKING
METHOD SPECIFICATION.
Mode Selection of VA measurement mode, see VA
measurement modes section 3.2
Electrode see Electrodes, section 3.1

797 VA Computrace – Software 71

 4 Exploratory mode

Drop size see Electrodes, section 3.1

Stirrer see Stirring, section 3.4

see Potentiostat, section 3.3

Initial purging time (Initial mixing time with CVS and CPVS)
see Purging section 3.4, and Initial mixing
time with CVS and CPVS section 6.3)
Conditioning cycles see Conditioning of solid state electrodes
section 3.4, and Conditioning cycles with
CVS and CPVS section 6.3
Pretreatment see Pretreatment section 3.4, and
Pretreatment with CVS and CPVS section 6.3
Sweep Parameters of the selected VA measurement
mode, see VA measurement modes section
3.2
Cell off after measurement
Enable/disable the switching off of the volt-
age applied to the electrodes after meas-
urement.
Stand-by potential see Stand-by potential, section 3.4

Load/save signals
Signal files (*.sig) contain the measurement data and specifications
of a signal recorded in the exploratory mode.

EXPLORATORY SPECIFICATION / File / New parameters

Load default parameters for selected electrode
and measurement mode.

EXPLORATORY SPECIFICATION / File / Load signal

Load an existing signal file. Normally, signal files
are stored in the Data folder.

EXPLORATORY SPECIFICATION / File / Save signal ...

Save the signal whose parameters are loaded in
the working memory into a new file (this is only
possible for a signal marked with an asterisk *).
Enter name and directory for storage of the signal
file.
EXPLORATORY SPECIFICATION / File / Export signal points
Save the measurement points of the sweep of the
current signal loaded in the working memory into
a data file (extension *.txt). This data file contains
a block of the used method parameters followed
by the sweep block of X and Y values preceded by
the number of measurement points. The data files
can be imported into spreadsheet programs like
Microsoft Excel.

72 797 VA Computrace – Software

 4.2 Exploratory specification window

EXPLORATORY SPECIFICATION / File / Export voltammetric

parameters ...
Save the voltammetric parameters of the current
signal loaded in the working memory into an AC-
SII file (extension *.txt). The files can be imported
into spreadsheet programs like Microsoft Excel or
into text programs like Microsoft Word.

Transfer parameters and data

Measurement parameters and/or data points of signal files can be
transferred between the exploratory mode and the determination
mode.
EXPLORATORY SPECIFICATION / Transfer /
Parameters / To working method
Transfer measurement parameters from the EX-
PLORATORY SPECIFICATION window to the
WORKING METHOD SPECIFICATIONS window.
EXPLORATORY SPECIFICATION / Transfer /
Parameters / From working method
Transfer measurement parameters from the
WORKING METHOD SPECIFICATIONS window to
the EXPLORATORY SPECIFICATION window.
EXPLORATORY SPECIFICATION / Transfer /
Parameters / From determination method
Transfer measurement parameters from the EDIT
DETERMINATION METHOD PARAMETERS window
to the EXPLORATORY SPECIFICATION window.
EXPLORATORY SPECIFICATION / Transfer / Data to determination
Transfer measurement data of the loaded signal
file to the loaded determination file. The data set
to which the measurement data should be trans-
ferred has to be specified as VR code (number of
variation and replication).
Variation: 0, 1, 2 … (0 = blank, 1 = sample, 2 =
first addition, …)
Replication: 1, 2, 3 …

Performing exploratory measurements

Measurements in the exploratory mode can be performed using the
following icons (in the MAIN WINDOW) or buttons (in the EX-
PLORATORY SPECIFICATION window):

Start measurement
The operation sequence (see section 3.4) defined
in the EXPLORATORY SPECIFICATION window is
started. Each step of the operation sequence is
listed in the first line of the status window beside
the <Start> button.

797 VA Computrace – Software 73

 4 Exploratory mode

For the running voltage sweep there is a live dis-

play in the EXPLORATORY CURVES window with
automatic scaling of the axes. Manual rescaling
can be done by pressing the <F4> button.
The red light at the left side of the <Stop> button
indicates a current overload. In this case, stop the
measurement and change the measurement pa-
rameters.
In the second line of the status window comments
or error messages concerning the running meas-
urement are displayed.
A running measurement can be stopped, interrup-
ted and continued. Each step in the operation se-
quence can be abbreviated by clicking the <Next>
button.

Stop measurement
Stop running measurement immediately.

Hold measurement
Interrupt running measurement.

Continue measurement
Continue an interrupted measurement.

Next step
Go to next step in operation sequence.

4.3 Exploratory curves

Exploratory curves window

The EXPLORATORY CURVES window shows all curves of the signals
loaded and (if a voltage sweep is running) the live curve.

74 797 VA Computrace – Software

 4.3 Exploratory curves

If a signal file is loaded or measured, the axes have the following

orientation:
x axis The previously loaded or measured signal is dis-
played from the left to the right. For cyclic sweeps,
the forward sweep is displayed from the left to
the right.
y axis The y axis is displayed with positive values at the
top.

Load signal curves

The signal curves are loaded into the EXPLORATORY CURVES win-
dow by loading the signal files (*.sig) in the EXPLORATORY SPECI-
FICATION window.

EXPLORATORY SPECIFICATION / File / Load signal

Load one or several (Ctrl + Click) existing signal
file(s) with its measurement parameters. Normally,
signal files are stored in the Data folder.

Select signal curves

One of the signal curves loaded into the EXPLORATORY CURVES
window is always shown with Selected signal properties which can
be set different from all other curves loaded (see Curve properties,
section 3.5). The selection of this signal file is done in the Signal
field of the EXPLORATORY SPECIFICATION window. An asterisk *
in this field marks the signal file whose parameters are loaded in
the EXPLORATORY SPECIFICATION window. Only this signal file
can be stored.

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 4 Exploratory mode

Zooming
Curve regions in the EXPLORATORY CURVES window can be enlar-
ged by zooming the desired area while pressing the left mouse but-
ton ("drag a box"; reset see Auto scaling).

Auto scaling
EXPLORATORY CURVES / Plot / Auto scale (F4)
Reset zooming and scale x and y axes so that all
measurement points of all signal curves are visible.
This function is also active during measurement
for the live display.

Swap axes
EXPLORATORY CURVES / Plot / Swap axis / abscissa
Swap x axis for the current signal curve.
EXPLORATORY CURVES / Plot / Swap axis / ordinate
Swap x axis for the current signal curve.

Graphical properties for exploratory curves

EXPLORATORY CURVES / Plot / Page properties
The page properties of the EXPLORATORY
CURVES window can be set with the page tab of
the GRAPHICAL PROPERTIES window (details see
Page properties, section 3.5).
The properties of the x and y axis can be set with
the x axis and y axis tab of the GRAPHICAL PRO-
PERTIES window (details see Axis properties, sec-
tion 3.5).
EXPLORATORY CURVES / Plot / Dynamic signal properties
The properties of the dynamic signal curve (live
curve) can be set with the Dynamic curve tab of
the GRAPHICAL PROPERTIES window (details see
Curve properties, section 3.5).
EXPLORATORY CURVES / Plot / Selected signal properties
The properties of the selected signal curve can be
set with the Selected curve tab of the GRAPHICAL
PROPERTIES window (details see Curve properties,
section 3.5).

EXPLORATORY CURVES / Plot / Other signal properties

The properties of all other signal curves can be set
with the Other curves tab of the GRAPHICAL
PROPERTIES window (details see Curve properties,
section 3.5).

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 4.3 Exploratory curves

Note: The line properties for axis or signal curve lines can be set
with in the LINE PROPERTIES window (details see Line properties,
section 3.5)

Copy to clipboard
EXPLORATORY CURVES / Plot / Copy to clipboard
Copy the current content of the EXPLORATORY
CURVES window to the clipboard.

Save as enhanced metafile

EXPLORATORY CURVES / Plot / Save as enhanced metafile
Saves the current content of the EXPLORATORY
CURVES window as an enhanced metafile (*.emf).

Change labels
EXPLORATORY CURVES / Plot / Change Y axis text
Modify text label for y axis.
EXPLORATORY CURVES / Plot / Change title
Modify title text, which is displayed above the
curve.

Clear signal curves

A single or all signal curves loaded into the EXPLORATORY CURVES
window can be cleared by selecting the appropriate menu point in
the EXPLORATORY CURVES window.
EXPLORATORY CURVES / Signal / Clear
Remove the selected signal curve from the EX-
PLORATORY CURVES window.

EXPLORATORY CURVES / Signal / Clear all

Remove all signal curves from the EXPLORATORY
CURVES window.

Signal cursor
EXPLORATORY SPECIFICATION / Signal / Signal cursor
Open the SIGNAL CURSOR window for selection of
measurement points. The X and Y value of the se-
lected point is displayed in the window.

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 4 Exploratory mode

Move cursor to the next or to the

preceding measurement point on
the selected signal.

Peak search
Automatic or manual peak evaluation of recorded signal curves.
The results (peak position, height, area, derivative) are listed in the
table of results, the calculated baselines and peak positions are also
displayed in the EXPLORATORY CURVES window.
EXPLORATORY SPECIFICATION / Signal / Peak search
Open the PEAK SEARCH window for starting the
quantitative peak evaluation.

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 4.3 Exploratory curves

Options General parameters for peak evaluation.

Manual
Manual peak evaluation. The base points for base-
line evaluation must be set manually.
Automatic
Automatic peak evaluation. The base points for
baseline evaluation are evaluated automatically.
Reverse peak
Enable peak evaluation of reverse peaks (peaks
with opposite direction compared to the sweep
direction: negative peaks with anodic sweeps;
positive peaks with cathodic sweeps).
Reverse sweep
Enable peak evaluation of the reverse sweep of
cyclic voltammograms (only available with CV and
CVS).
Minimum peak width (V.step) [ ≥ 0 ; 10 ]
Minimum peak width for peak recognition by
number of Voltage steps (= number of measure-
ment points).
Minimum peak height (A) [ > 50 pA ; 100 pA ]
Minimum peak height for peak recognition.
Smooth factor [ 1...6 ; 3 ]
Smoothing power for the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing).

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 4 Exploratory mode

Baseline Parameters for baseline evaluation.

Begin (V) (for CPVS: s) [ Start potential...End potential ; - ]
Manual setting of the start base point for baseline
evaluation. The values can be increased or de-
creased by clicking the buttons of the field or
by clicking the field and pressing the ↑ or ↓ key.
If the automatic peak evaluation is selected, n/a is
displayed and the field can not be edited.
End (V) (for CPVS: s) [ Start potential...End potential ; - ]
Manual setting of the end base point for baseline
evaluation. The values can be increased or de-
creased by clicking the buttons of the field or
by clicking the field and pressing the ↑ or ↓ key.
If the automatic peak evaluation is selected, n/a is
displayed and the field can not be edited.
Type [ Linear, Polynomial, Exponential , Horizontal ; Linear
]
Selection of the baseline type. Automatic peak
evaluation is only possible with baseline types lin-
ear and horizontal.
Scope [ Whole peak, Front end, Rear end ; Whole peak ]
Selection of the range for baseline evaluation.
This field can only be edited if the Linear baseline
type is selected.

Close the PEAK SEARCH window.

Clear all the peak evaluation results entered in the

peak table and the EXPLORATORY CURVES win-
dow.

Start peak evaluation with the current parameters

entered in the PEAK SEARCH window. The calcu-
lated baselines and peak maximum positions are
displayed in the EXPLORATORY CURVES window.

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 4.3 Exploratory curves

Table of results
Display of peak evaluation results.
No. Number of evaluation result. This number is also
displayed in the EXPLORATORY CURVES window.
Clicking this number with the right mouse button
offers the following menu:
Edit baseline
Open the EDIT BASELINE window for further mo-
difying the peak evaluation for the selected peak
(see Edit baseline, section 4.3).
Copy
Copy the selected results line of the table to the
clipboard.
Copy Peak List
Copy all result lines of the table to the clipboard.
Copy Graphed Results
Copy the current content of the EXPLORATORY
CURVES window to the clipboard.
Position (V)
Calculated peak voltage at the peak maximum.
Height (A)
Calculated peak height from the baseline to the
peak maximum.
Area (W)
Calculated peak area between peak curve and cal-
culated baseline.
Derivative
Calculated difference between the positive and
negative maximum of the first derivative of the
voltammogram.

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 4 Exploratory mode

Charge (C)
Calculated charge transmitted during this peak (is
depending from sweep rate and current).

Edit baseline
Modify the peak evaluation of an already found peak. The results
are displayed in the PEAK SEARCH window. This window is opened
by clicking the number of a found peak in the PEAK SEARCH win-
dow with the right mouse button and selecting the menu point
Edit peak.

Begin
Manual setting of the start base point for baseline
calculation. The base point can be moved either
by manually changing the voltage value (time with
CPVS) in the first field or by clicking the but-
tons of the second field indicating the current
value.
End
Manual setting of the end base point for baseline
calculation. The base point can be moved either
by manually changing the voltage value (time with
CPVS) in the first field or by clicking the but-
tons of the second field indicating the current
value.
Type of baseline [ Linear, Polynomial, Exponential , Hori-
zontal ; Linear ]
Selection of the baseline type.
Scope [ Whole peak, Front end, Rear end ; Whole peak ]
Selection of the range for baseline evaluation.
This field can only be edited if the Linear baseline
type is selected.

Start peak evaluation with the current parameters

entered in the EDIT PEAK window.

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 4.3 Exploratory curves

Wave evaluation
Automatic wave evaluation of recorded DC or NP signal curves. The
results (position of half-wave potentials and wave height) are listed
in the table of results, the calculated tangents and positions of the
half-wave potential are displayed in the EXPLORATORY CURVES
window.
EXPLORATORY SPECIFICATION / Signal / Wave evaluation
Open the WAVE EVALUATION window for starting
the quantitative wave evaluation.

Options General parameters for wave evaluation.

Manual
Manual wave evaluation. The base points for tan-
gent evaluation must be set manually.
Automatic
Automatic wave evaluation. The base points for
tangent evaluation are evaluated automatically.
Minimum width (V) [ > 0...5 V ; 0.1 V ]
Minimum width for wave recognition.
Minimum height (A) [ > 50 pA ; 100 nA ]
Minimum wave height for wave recognition.
Smooth factor [ 1...6 ; 3 ]
Smoothing power for the Savitzky/Golay smooth-
ing of the wave (1 = minimum smoothing, 6 =
maximum smoothing).

Close the WAVE EVALUATION window.

Clear all the wave evaluation results entered in the

results table and the EXPLORATORY CURVES win-
dow.

Start wave evaluation with the current parameters

entered in the WAVE EVALUATION window. The

797 VA Computrace – Software 83

 4 Exploratory mode

calculated positions of the half-wave potentials

and tangents are displayed in the EXPLORATORY
CURVES window.

Table of results
Display of wave evaluation results.
No. Number of evaluation result. This number is also
displayed in the EXPLORATORY CURVES window.
Clicking this number with the right mouse button
offers the following menu points:
Copy
Copy the selected result line to the clipboard.
Copy All or Copy Wave List
Copy all result lines of the table to the clipboard.
Copy Graphed Results
Copy the current content of the EXPLORATORY
CURVES window to the clipboard.
Position (V)
Calculated half-wave potential of the wave.
Height (A)
Calculated wave height between the tangents at
the half-wave potential position.

4.4 Printing in exploratory mode

MAIN WINDOW / File / Print (Ctrl+P)
Print exploratory specifications and/or curves. The
PRINT EXPLORATORY window appears for selec-
tion of the items to be printed.

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 4.4 Printing in exploratory mode

With Print curves enabled, the content of the EX-

PLORATORY CURVES window is printed on the up-
per half of the page if the portrait format is se-
lected for the printer or on the whole page, if
landscape format is selected.
With Print voltammetric parameters enabled, the
voltammetric parameters defined in the EXPLORA-
TORY SPECIFICATION window are printed.
Curves and voltammetric parameters are always
printed on separate pages.

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 5 Determination mode

5 Determination mode

5.1 Determination mode overview

Determination mode features

The program part "Determination" is used for quantitative volt-
ammetric analysis of inorganic and organic substances. It com-
prises nine different measurement modes and the possibility for
stripping techniques. Quantitative evaluation can be performed via
standard addition or calibration curve.
The peak evaluation is automatic, various functions (linear, poly-
nomial, horizontal and exponential) can be selected for the baseline
approximation. In case of asymmetric peaks, there is a possibility to
evaluate only the front or rear peak half.
Peak evaluation and result calculation are documented in an in-
dividually compilable report which can also contain voltammo-
grams and calibration curves.
The parameters of the voltammetric analysis are stored in a method
file. The method loaded into the working memory is the working
method which is used for performing new determinations. The
determination method is the method which was used for the
recording of the loaded determination and which is stored together
with the measurement data in a determination file.

Determination mode selection

MAIN WINDOW / Mode / Determination

Switching to the determination mode for recor-
ding and displaying of determinations.

Determination mode windows

MAIN WINDOW / Window / Working method specification

(F6)
The WORKING METHOD SPECIFICATIONS window
will be opened or (if it is already open) closed. It
contains the specifications of the method loaded
into the working memory.

MAIN WINDOW / Window / Monitor (F7)

The MONITOR window will be opened or (if it is

86 797 VA Computrace – Software

 5.2 Working method specifications

already open) closed. It serves to start a determi-

nation using the working method and shows the
live display of the running determination curves.

MAIN WINDOW / Window / Determination curves (F8)

The DETERMINATION CURVES window will be
opened or (if it is already open) closed. It contains
determination and calibration curves of the loaded
determination and offers the possibility for recal-
culation and modification of the loaded deter-
mination.

MAIN WINDOW / Window / Results (F9)

The RESULTS window will be opened or (if it is al-
ready open) closed. It contains the full report of
the loaded determination.

MAIN WINDOW / Window / Sample table (F10)

The SAMPLE TABLE window will be opened or (if
it is already open) closed. (Only visible, if in GENE-
RAL SETTINGS/Automation tab Use sample table is
chosen for Working method source).

5.2 Working method specifications

Load/save methods
Method files (*.mth) contain all the specifications and parameters
for running a determination.

MAIN WINDOW / File / New method (Ctrl+N)

Load a standard template with DP mode for creat-
ing a new method into the working memory.

MAIN WINDOW / File / Load method (Ctrl+O)

Load an existing method file into the working me-
mory. The name of the method loaded is displayed
in the status bar of the MAIN WINDOW.

MAIN WINDOW / File / Save method (Ctrl+S)

Save the current method loaded in the working
memory. The old file will be overwritten.
MAIN WINDOW / File / Save method as ...
Save the current method loaded in the working
memory as a new file. Enter name and directory
for storage of the method file. If the file name al-
ready exists, windows asks if you want to over-
write the existing file.
797 VA COMPUTRACE / File / Export results ...
Save the full report of the current determination

797 VA Computrace – Software 87

 5 Determination mode

loaded in the working memory as an ASCII file

(*.txt). This file can be imported into spreadsheet
programs like Microsoft Excel or into text pro-
grams like Microsoft Word.

Note: The default folder where methods are saved or loaded from
is set in the User directories tab of the USER RIGHTS window.

Working method specifications window

The WORKING METHOD SPECIFICATIONS window contains the
main specifications for the working method (method loaded in the
working memory). The rest of the settings and parameters for the
working method can be accessed by clicking the <Edit parame-
ters>, <Potentiostat> and <Dosinos> button.

Method [ read only ]

File name of the method loaded in the working
memory (only visible if the method has already
been saved).
Title [ 0...68 characters ; "Method title" ]
Method title.
Remark1 [ 0...68 characters ; ]
Remark 1 regarding the method.
Remark2 [ 0...68 characters ; ]
Remark 2 regarding the method.
Mode Selection of VA measurement mode (see VA
measurement modes, section 3.2).

88 797 VA Computrace – Software

 5.2 Working method specifications

Calibration [ see below ; Standard addition manual ]

Selection of calibration mode (see also Calibration
techniques with CVS and CPVS, section 6.2):
Standard addition
Standard addition. The number of additions is de-
fined in the Determination tab, the standard ad-
dition solutions are defined in the Substances tab,
and the Dosing Devices are defined in the DOSI-
NOS window.
Sample with calibration curve
Sample determination using previously recorded
calibration curves. The determination with the re-
corded calibration curves must be defined in the
Determination tab.
Record calibration curve
Recording of calibration curves. The number of
additions is defined in the Determination tab, the
addition solutions are defined in the Substances
tab, and the Dosing Devices are defined in the
DOSINOS window.

Note: For the electroplating bath modes CVS and CPVS

the Calibration techniques are different. See Calibration
techniques with CVS and CPVS, section 6.2).

Technique [ see below ; Batch ]

Selection of measurement technique:
Batch
Measurement without solution exchange.
Batch with solution exchange(not selectable with CVS and
CPVS modes)
Measurement with solution exchange for every
addition or calibration level.
Taken from calibration curve
This option is used automatically if Sample with
calibration curve is selected.

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 5 Determination mode

Addition [ Manual, Automatic ; Manual ]

Selection of manual or automatic standard addi-
tion or recording of calibration curves:
Manual
Manual standard addition resp. recording of cali-
bration curves using a pipette.
Automatic
Automatic standard addition resp. recording of
calibration curves using one or several Dosing De-
vices.

Electrode Selection of electrode (see Electrodes, section

3.1).
Drop size Drop size for SMDE or HMDE (see Electrodes, sec-
tion 3.1).
Stirrer Stirrer settings (see Stirring, section 3.4).

Dosing Device settings (see Dosing Devices, sec-

tion 5.2).

Potentiostat settings (see Potentiostat, section

3.3).

Edit working method parameters (see

Determination, Voltammetric, Substances,
Calculations and Documentation).

Determination
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique.

90 797 VA Computrace – Software

 5.2 Working method specifications

Sample identifier [ 32 characters ; "sample" ]

Identification for sample. The

Note: The Sample identifier is used for the file na-

me. To make sure that (for automated operations
with a sample processor) always the latest cali-
bration file is taken for the calculation; the Sample
identifier defined for recording the calibration cur-
ve (with Calibration technique "Record calibration
curve"), must match with the file name of the cali-
bration file chosen for parameter Calibration curve
(see below) for the determination of the sample
(with Calibration technique "Sample with calibra-
tion curve").

Example for Sample identifier: CalibrationLead

Sample amount (mL) [ > 0 mL ; 10 mL ]
Amount of sample added to the measuring vessel.
Sample unit [ mL, g ; mL ]
Selection of unit for sample amount.

Note: The sample unit chosen in the EDIT WORK-

ING METHOD PARAMETERS/Determination tab de-
termines the selecting list for Final Unit in the CAL-
CULATION window.
mL → #g / #L [g/L]
g → #g / #g [g/kg]

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 5 Determination mode

Cell volume (mL) [ > 0 mL ; 10 mL ]

Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (added manually or pre-dosed
with a Dosing Device)) in the measuring vessel at
the start of the determination. The sample con-
centrations Conc. calculated refer to this cell vo-
lume.

Note: The sample and solution parameters (Sample identifier,

Sample amount, Sample unit, Cell volume) are different with the
CVS or CPVS mode.

Measure blank [ on, off ; off ]

Measure a blank solution before sample determi-
nation. The blank curve is then automatically sub-
tracted from all subsequent measured curves. This
background compensation is mainly used to re-
duce interference due to the supporting electro-
lyte. Such interference includes both the presence
of the analyte (blank value) and that of foreign
substances electroactive in the same range.
No. of blanks [ 1...5 ; 1 ]
Number of measurements to determine the blank
curve. If the blank solution is measured several
times, a mean blank curve is determined from the
different measurements.
Blank purge time [ 0...80600 s ; 300 s ]
Time of inert gas purging before measurement of
the blank solution.
Addition purge time [ 0...80600 s ; 10 s ]
Time of inert gas purging for all measurements af-
ter determination of the sample (standard addi-
tion) or of the first calibration solution if Batch is
selected for Technique (for the first measurement,
the Initial purge time is used).

Note: The blank measurements parameters (Measure blank, No. of

blanks, Blank purge time, Addition purge time) are different with
the CVS or CPVS mode.

Cell purge time [ 0...80600 s ; 10 s ]

Time of inert gas purging after solution exchange
if Batch with solution exchange is selected for
Technique.
No. of additions [ 0...28 ; 2 ]
Number of additions of standard addition solu-
tions resp. calibration solutions if Batch is selected
for Technique.

92 797 VA Computrace – Software

 5.2 Working method specifications

No. of cells [ 0...28 ; 2 ]

Number of solutions to be measured if Batch with
solution exchange is selected for Technique.
Calibration curve [ path + file name ; ]
Selection of the determination file that contains
the desired calibration curves. Accessible if Sample
with calibration curve is selected for Calibration.
Also accessible with Calibration technique “DT
Suppressors with calibration curve” in the CVS and
CPVS mode.

Note: To make sure that (for automated opera-

tions with a sample processor) always the latest
calibration file is taken for the calculation; the file
name of the calibration file chosen for parameter
Calibration curve for the determination of the
sample (with Calibration technique "Sample with
calibration curve"), must match with the Sample
identifier (see above) defined for recording the
calibration curve (with Calibration technique "Re-
cord calibration curve").

Example for Calibration curve:

C:\Program files\Metrohm\797 VA Computrace\-
Data\CalibrationLead.dth
No. of replications [ 0...10 ; 2 ]
Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level). For cyclic modes (CV,
CVS, CPVS) the “total number of measurements”
is the No. of replications multiplied with the num-
ber of Save last .. sweeps (Voltammetric tab). “To-
tal number of measurements” must not exceed
10.

Voltammetric
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. The parameters displayed depend on the
measurement mode selected in the WORKING METHOD SPECIFICA-
TIONS window.

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 5 Determination mode

For a detailed description of these parameters see section 3.4 Gen-

eral operation sequence, and section 3.2 VA measurement modes.
If you work with the electroplating bath modes CVS or CPVS, see
section 8.6 Operate a sequence in Electroplating Bath VA.
Note: For Calibration technique "Sample with calibration curve"
the Voltammetric tab parameters are not editable. To make sure
that the Voltammetric parameters defined for the determination of
the sample match with the Voltammetric parameters defined for re-
cording the calibration curve (with Calibration technique "Record
Calibration curve"), following procedure is recommended:
1. Load the determination of the calibration curve (FILE / Load de-
termination)
2. Open window DETERMINATION CURVES
3. Copy the parameters to the working method (EDIT / Copy pa-
rameters to working method)
The same procedure is recommended for the Suppressor determi-
nation (see Voltammetric tab with Calibration technique "DT Supp-
ressors with calibration curve").

Substances
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak
evaluation and results calculation. The parameters displayed de-

94 797 VA Computrace – Software

 5.2 Working method specifications

pend on the Calibration technique selected in the WORKING

METHOD SPECIFICATIONS window.

Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to
open the BASELINE window for the selected sub-
stance.
Standard solution(Additive solution with CVS and CPVS)
Definition of addition solutions for standard addi-
tion or recording of calibration curves. These pa-
rameters are not displayed if Batch with solution
exchange is selected for Technique.
No. [ 0...8; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number. If a
mixed standard solution is used, the number of
this solution must be entered for each substance
present in the mixed solution.

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 5 Determination mode

Achtung: Dosino 1..3 refer to Dosinos connected

to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ pg/L...g/L ; g/L ]
Unit for concentration of addition solution. With
the CVS or CPVS mode: [ fL/L...mL/L ; mL/L ]
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT
VARIED ADDITION window for the selected sub-
stance (details see Variable addition, section 5.2).
In this case, var is entered into the field instead of
a fixed value. This field only appears once for solu-
tions with the same number (mixed standards)
and it is not displayed if Batch with solution ex-
change is selected for Technique or if 0 is entered
as solution number.

Click this button to open the CELL CONCENTRATI-

ONS window for entering the concentrations of
the solutions used for standard addition or the re-
cording of calibration curves for the selected sub-
stance (details see Concentrations of calibration
solutions, section 5.2). This button is only dis-
played if Batch with solution exchange is selected
for Technique.
Regression technique [ see below ; Linear Regression ]
Selection of regression technique:
Linear Regression
The regression is calculated with a straight line.
Nonlinear Regression
The regression is calculated with a nonlinear cur-
ve. This option is only available if Record calibra-
tion curve, DT Record calibration curve or RC Re-
cord response curve is selected for Calibration.
Linear Regression (through Zero)
The regression is calculated with a straight line
forced to the zero point. This option is only avail-
able if Record calibration curve, DT Record calibra-
tion curve or RC Record response curve is selected
for Calibration.
Nonlinear Regression (through Zero)
The regression is calculated with a nonlinear curve
forced to the zero point. This option is only avai-
lable if Record calibration curve, DT Record ca-

96 797 VA Computrace – Software

 5.2 Working method specifications

libration curve or RC Record response curve is se-

lected for Calibration.
Linear Interpolation
The regression is calculated with a linear interpola-
tion through 2 points. This option is only available
if Record calibration curve, DT Record calibration
curve or RC Record response curve is selected for
Calibration.
Quadratic Interpolation
The regression is calculated with a nonlinear
curve. This option is only available if Record cali-
bration curve, DT Record calibration curve, DT Sup-
pressors with Calibration Curve or RC Record re-
sponse curve is selected for Calibration.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Height ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated
baseline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing). See Smoothing and differ-
entiation, section 5.8)
Minimum peak width (V.step) [ ≥ 5 ; 5 ]
Minimum peak width for peak recognition by
number of Voltage steps (= number of measure-
ment points).
Minimum peak height (A) [ > 1 pA ; 100 pA ]
Minimum peak height for peak recognition.
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (only available with CV and CVS).
Reverse peaks [ on, off ; off ]
Enable peak evaluation of reverse peaks (peaks
with opposite direction compared to the sweep or
pulse direction).

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 5 Determination mode

Note: If you work with the modes CVS or CPVS the parameter list
is different.

Baseline
The BASELINE window contains the settings for baseline evaluation
for a single "variation" measurement (= all replications of a sample,
standard addition or calibration measurement) of a substance and
is opened by clicking the button for the selected substance in
the Bsln. column in the Substances tab of the EDIT WORKING
METHOD PARAMETERS window.

Auto. [ on, off ; on ]

Enable/disable the automatic peak evaluation.
Begin [ -5...+5 V ; 0 V ]
Manual setting of the start base point for baseline
evaluation. If Auto is enabled, the automatically
calculated start base point is displayed and the
field can not be edited.
End [ -5...+5 V ; 0 V ]
Manual setting of the end base point for baseline
evaluation. If Auto is enabled, the automatically
calculated end base point is displayed and the
field can not be edited.
Type [ Linear, Polynomial, Exponential , Horizontal ; Linear
]
Selection of baseline type. If Auto is enabled, Line-
ar is displayed and the field can not be edited.
Scope [ Whole peak, Front end, Rear end ; Whole peak ]
Selection of the range for baseline evaluation. Can
only be edited with the Type “Linear”.

Switch to the previous page of this window.

Switch to the next page of this window.

98 797 VA Computrace – Software

 5.2 Working method specifications

Note: For Electroplating Bath VA, Metrohm recommends

to use a horizontal baseline with a fixed Begin and End.

Calculations
The Calculations tab in the EDIT WORKING METHOD PARAMETERS
window contains a table with all formulae used for the calculation
of the final results for a substance.

Substance
Selection of the substance with its calculation
formulae.
Calculations
Display of defined calculation formulae.
Name
Name of the calculation formula. Double-clicking
the name opens the CALCULATION window for
edition of the formula.
Formula
Display of calculation formula.
Unit
Unit of the calculation formula.
Used
Display whether the formula is used or not. The
use of the formula can be changed by clicking the
Name field with the right mouse button and se-
lecting one of the menu items Use, Use all or Use
only. In the case of Use all, the first formula is
used to show the result in the CALIBRATION CUR-
VE window.

Add a new calculation formula. The CALCULATION

window for edition of the formula is automatically
opened.

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 5 Determination mode

Open the CALCULATION window for edition of the

selected formula.

Delete the selected formula.

Note: There is no Calculation tab in the EDIT WORKING METHOD

PARAMETERS window, if you work with the CVS or CPVS modes
and the Calibration technique Standard addition plating bath.

Calculation Window
The CALCULATION window is opened if a new formula is added or
an existing formula is edited on the Calculations tab of the EDIT
WORKING METHOD PARAMETERS window. It contains the formula
and parameters for the calculation of a final result for a substance.

Formula
General calculation formula for the final result.
Name
User-defined name for the calculation formula.
Final unit
[ pg/L...g/L ; g/L ]
If mL is chosen as Sample unit on the Determina-
tion tab of the EDIT WORKING METHOD PARAME-
TERS window.
[ pg/kg...g/kg ; g/kg ]
If g is chosen as Sample unit on the Determination
tab of the EDIT WORKING METHOD PARAMETERS
window.
[ fL/L...mL/L ; mL/L ]
If you work with the modes CVS or CPVS.
Final result unit. Depending on the chosen units in the

100 797 VA Computrace – Software

 5.2 Working method specifications

EDIT WORKING METHOD PARAMETER/Determination tab.

For Calibration techniques not related to the Electroplating Bath VA

modes, following formula is quoted:

Final Result
Final result of the determination, displayed on the
bottom of the result sheet.
Conc.
The determined sample concentration, obtained
through measurements and internal standard ad-
dition calculations (displayed in the Substance part
of the result sheet).
Cell Volume
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (added manually or pre-dosed
with a Dosing Device)) in the measuring vessel at
the start of the determination (displayed in the
Sample part of the result sheet).
Sample Amount
Amount of sample added to the measuring vessel.
(displayed in the Sample part of the result sheet).
Multiplier [ any number ; 1 ]
Multiplier for calculation formula.
Divisor [ any number ; 1 ]
Divisor for calculation formula.
Summand [ any number ; 0 ]
Summand for calculation formula.
Blank [ any number ; 0 ]
Blank value to be subtracted from the final result.

For the Electroplating Bath VA Calibration techniques “LAT” and

“MLAT” (for Brightener determination) as well as "RC Sample with
response curve" (for Suppressor determination) following formula is
quoted:

Volume Prod. Bath

The volume of sample bath solution added (see
Production bath solution, section 6.4).

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 5 Determination mode

For the Electroplating Bath VA Calibration technique “DT Record

calibration curve” (to get the “Calibration factor” for Suppressor
determination), following formula is quoted:

Cal.factor Z
Is the “Calibration factor” to calculate the Sup-
pressor concentration in the bath. It is determined
at the “Evaluation ratio”. The default unit of the
Cal.factor Z is mL/L. For all internal calculations the
unit mL/L is used even if the output unit has been
changed.
V(std)
Is the volume of Suppressor standard solution at
the “Evaluation ratio”.
c(std)
Is the concentration of Suppressor standard solu-
tion.
V(VMS)
Is the volume of VMS (Virgin Make-up Solution).

For the Electroplating Bath VA Calibration technique “DT Suppres-

sors with calibration curve” (for Suppressor determination), follo-
wing formula is quoted:

Z
Is the “Calibration factor” to calculate the Sup-
pressor concentration in the bath. It is determined
at the “Evaluation ratio”. The unit of the “Cali-
bration factor” is mL/L.. For all internal calculati-
ons the unit mL/L is used even if the output unit
has been changed.
V (prod.bath)
Volume of the added plating bath at the “Evalua-
tion ratio”.

Variable addition
Variable addition volumes can be entered in the EDIT VARIED AD-
DITION window which is opened by clicking the button for the
selected substance in the Volume column in the Substances tab of
the EDIT WORKING METHOD PARAMETERS window.

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 5.2 Working method specifications

Volume (mL) [ > 0.01 mL ; 0 mL ]

Addition volume for each addition.

Switch to the previous page of this window.

Switch to the next page of this window.

Concentrations of calibration solutions

If Batch with solution exchange is selected for Technique, the con-
centrations of the calibration solutions must be entered in the CELL
CONCENTRATIONS window which is opened by clicking the
button for the selected substance in the Substances tab of
the EDIT WORKING METHOD PARAMETERS window.

Unit of concentration [ pg/L...g/L ; g/L ]

Unit for concentration of solution X.
Cell no. X [ > 0 ; 0 ]
Value for concentration of solution X.

Switch to the previous page of this window.

Switch to the next page of this window.

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 5 Determination mode

Documentation
In the Documentation tab of the EDIT WORKING METHOD PA-
RAMETERS window the elements for the automatic documentation
printout at the end of the determination are defined. These settings
belong to the method and are stored with it.

Results
Automatic printout of Full report or Short report.
Font size
Font size in points for report printout.
Comment
Automatic printout of the method comment de-
fined in the accompanying field.
Determination curves
Automatic printout of all voltammograms.
Calibration
Automatic printout of all calibration curves.
Curves on two pages
If this option is checked, the determination and
calibration curves are printed on two separate
pages; if not, they are printed on one page.
Determination method
Automatic printout of the method parameters
used for the determination.

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 5.2 Working method specifications

Working method
Automatic printout of the method parameters of
the working method in the working memory.
Order [ 1...6 ; ]
Order of printout for the element.
Save final results as ASCII file
Automatic storage of the full report into an ASCII
file.
Path
Path for saving the selected report elements into
an ASCII file. Use to change the path.

Export
In the Documentation tab of the EDIT WORKING METHOD PA-
RAMETERS windo
In the Export tab of the EDIT WORKING METHOD PARAMETERS
window the settings for the export of determinations and results
(which are automatically stored after determination) are defined.
These settings belong to the method and are stored with it.

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 5 Determination mode

Export final results as ASCII

If this option is activated, the full report is ex-
ported as an ASCII-file.
Folder
Target folder for storing the ASCII-file with the se-
lected report elements. The folder can be changed
by clicking the button .
Export final results as CSV
If this option is activated, the full report is ex-
ported as a CSV-file.
Folder
Target folder for storing the CSV-file with the se-
lected report elements. The folder can be changed
by clicking the button .
File name
Definition of the file name
YYMMDDhhmm_Sample ID
If this option is activated, the CSV-file is named
automatically with date and sample ID. This op-
tion is activated automatically, if Export final re-
sults as CSV is activated.
Fixed
If this option is activated, the CSV-file is named
automatically with the text in the field.
Append
If this option is activated, the new CSV-file is ap-
pended to a (possibly) already existing CSV-file.
Overwrite
If this option is activated, the new CSV-file over-
writes a (possibly) already existing CSV-file.
Export determination as XML
If this option is activated, the full report is ex-
ported as an XML-file.
Folder
Target folder for storing the XML-file with the se-
lected report elements. The folder can be changed
by clicking the button .
File name
Definition of the file name
YYMMDDhhmm_Sample ID
If this option is activated, the XML -file is named
automatically with date and sample ID. This op-
tion is activated automatically, if Export final re-
sults as XML is activated.
Fixed
If this option is activated, the XML -file is named
automatically with the text in the field.

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 5.2 Working method specifications

Append
If this option is activated, the new XML -file is ap-
pended to a (possibly) already existing CSV-file.
Overwrite
If this option is activated, the new XML -file over-
writes a (possibly) already existing CSV-file.
Export determination to Auto Database
If this option is activated, the determintion data is
exported to a database.
Database
Database in which the data is to be exported. The
database can be selected by clicking the button
.

Dosing Devices
The automatic use of Dosing Devices (possible: 700/800 Dosino,
685/805 Dosimat) for the addition of solutions has to be defined in
the DOSINOS window that is opened by clicking the
button in WORKING METHOD SPECIFICATIONS window.

Note: Make sure that Automatic is selected for Addition on the

WORKING METHOD SPECIFICATIONS window.

Achtung: Dosino 1..3 refer to Dosinos connected to the 797 VA

Computrace. Dosino 4...7 refer to Dosinos connected to the 846
Dosing Interface (to MSB 1...4).

Use [ on, off ; off ]

Checkbox for Dosing Devices used for automatic
addition of solutions. For the addition of standard
solutions, the Dosing Devices must have the same
number as the Standard solution No. entered on
the Substances tab of the EDIT WORKING
METHOD PARAMETERS window.

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 5 Determination mode

Use for predose [ on, off ; off ]

Use of a Dosing Device for addition of an auxiliary
solution (e.g. buffer, or VMS for automated elec-
troplating bath analysis) at the start of the de-
termination.
Volume of predose (mL) [ > 0.01 mL ; 0 mL ]
Volume of the auxiliary solution (e.g. buffer, or
VMS for automated electroplating bath analysis)
to be added at the start of the determination. This
volume must be accounted for the calculation of
the Cell volume.
Use after sample transfer [ on, off ; off ] (only with the to electro-
plating bath modes CVS and CPVS and the Cali-
bration technique "MLAT" or "RC Sample with re-
sponse curve")
Use of a Dosing Device for addition of an auxiliary
solution (e.g. Suppressor) after the sample trans-
fer.
Volume after sample transfer [ 0.01 ... 1000 mL ; 0 mL ] (only with
the two electroplating bath modes CVS and CPVS
and the Calibration technique "MLAT")
Volume for addition of an auxiliary solution (e.g.
Suppressor) after the sample transfer.
Content [ 46 characters ; "solution" ]
Remarks regarding the solution.

Note: Dosing Device parameters can only be overwritten if the

checkbox Use is checked.

5.3 Monitor

Start determination
If no determination is running, the MONITOR window is used to
start a new determination with the current working method.

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 5.3 Monitor

Start determination
The operation sequence (see section 3.4) defined
in the working method is started.
If the previous determination has not been saved,
the SAVE CONFIRMATION window indicating Data
in memory is not saved appears offering the fol-
lowing options:

Start the new determination without saving

the previous determination.

Save the previous determination before star-

ting the new determination.

Cancel the start of a new determination.

Stop/Hold determination
A running determination can be stopped, interrupted and contin-
ued. Each step in the operation sequence can be abbreviated by
clicking the <Next> button.

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 5 Determination mode

Stop determination
Stop running determination immediately.

Hold determination
Interrupt running determination.

Continue determination
Continue an interrupted determination.

Next step
Break off the running step and go to next step of
the operation sequence.

Monitor determination
Once the determination is started, the running determination is
monitored in the MONITOR window.

All steps of the operation sequence are listed in the upper

field at the left side of the control buttons. All steps completed are
checked, the current running step is highlighted.
The progress indicator below this field shows the progress of
the determination.
The details of the running operation sequence step are dis-
played in the first line of the status field below the progress indica-
tor. In the second line of the status field comments or error
messages concerning the running determination are displayed.
The red light at the right side of the status field indicates a current

110 797 VA Computrace – Software

 5.3 Monitor

overload. In this case, stop the measurement and change the

measurement parameters.
For a running voltage sweep there is a live display in the MONITOR-
ING window with automatic scaling of the axes. Manual rescaling
can be done by pressing the <F4> button or selecting the Auto
scale option of the context sensitive menu. At the end of each volt-
age sweep, the recorded curve is copied into the DETERMINATION
CURVES window.

Message windows during determination

For some steps in the operation sequence additional windows de-
manding an action or entry of the user appear.
PLACE BLANK
If the Measure blank option in the Determination
tab is enabled, the message Place blank and press
OK appears. Add the blank solution into the meas-
uring vessel and press <OK>.
PLACE SAMPLE
This window appears for all sample determina-
tions with standard addition or calibration curve.

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 characters ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Sample amount [ > 0 ; 10 ]
Amount of sample added to the measuring vessel.
The value defined on the Determination tab is dis-
played and can be changed if desired.
Sample unit [ mL, g ; mL ]
Selection of unit for sample amount. The value de-
fined on the Determination tab is displayed and

797 VA Computrace – Software 111

 5 Determination mode

can be changed if desired.

Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (manually or pre-dosed with a
Dosing Device)) in the measuring vessel at the
start of the determination. The calculated sample
concentrations Conc. refer to this cell volume.
Add the sample solution into the measuring vessel
and press <OK>.

PLACE VMS
This window appears in the Electroplating Bath VA
with the Calibration techniques “Standard addition
plating bath”, “DT Suppressors with calibration
curve “and “DT Record calibration curve”.

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 characters ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Volume VMS (mL) [ > 0 mL ; 10 mL ]
(only with “DT Suppressors with calibration curve”
and “DT Record calibration curve”)
The volume of the “Virgin Make-up Solution” (see
VMS (Virgin Make-up Solution), section 6.4) is dis-
played and can be changed if desired.
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (manually or pre-dosed with a
Dosing Device)) in the measuring vessel at the
start of the determination. The calculated sample

112 797 VA Computrace – Software

 5.3 Monitor

concentrations Conc. refer to this cell volume. It

can be changed for the Calibration technique
“Standard addition plating bath” if desired.
Add the VMS solution into the measuring vessel
and press <OK>.

PLACE ELECTROLYTE
This window appears in the Electroplating Bath VA
with the Calibration techniques "RC Sample with
response curve" und "RC Record response curve".

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 characters ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Cell volume (mL) [ > 0 mL ; 10 mL ] (with "RC Sample with
response curve” “read only”)
With "RC Record response curve”: Enter the vol-
ume of the added electrolyte solution.
With "RC Sample with response curve”: The Cell
volume defined on the Determination tab is dis-
played.
Geben Sie die Electrolyte-Lösung ins Messgefäss
und drücken Sie <OK>.
Add the Electrolyte solution into the measuring
vessel and press <OK>.

ADD BATH SOLUTION

This window appears in the Electroplating Bath VA

797 VA Computrace – Software 113

 5 Determination mode

with the Calibration technique “MLAT Standard

addition for brighteners”.

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 characters ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Volume intercept solution (mL) [> 0 mL ; 10 mL] [nur An-
zeige]
The volume of Intercept solution added is dis-
played.
Volume production bath (mL) [ > 0 mL ; 10 mL ]
The volume of “sample bath solution” added (see
Production bath solution, section 6.4) is displayed
and can be changed if desired.
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (manually or pre-dosed with a
Dosing Device)) in the measuring vessel at the
start of the determination. The calculated sample
concentrations Conc. refer to this cell volume. It
can be changed if desired.
Add the sample solution into the measuring vessel
and press <OK>.

PLACE BATH SOLUTION

This window appears in the Electroplating Bath VA
with the Calibration techniques "LAT Standard ad-
dition for brighteners" and "RC Sample with re-
sponse curve".

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 5.3 Monitor

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 Zeichen ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Volume production bath (mL) [ > 0 mL ; 10 mL ]
The volume of sample bath solution added dis-
played and can be changed if desired.
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution in the measuring vessel at
the start of the determination. Is dependent on
whether you removed the electrolyte solution be-
fore you added the production bath or not.
Add the sample solution into the measuring vessel
and press <OK>.
PLACE INTERCEPT SOLUTION
This window appears in the Electroplating Bath VA
with the Calibration techniques “MLAT Standard
addition for brighteners” and "LAT Record calibra-
tion curve".

797 VA Computrace – Software 115

 5 Determination mode

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).
Sample ID [ 32 characters ; "sample" ]
Identification for sample. The expression defined
in the Determination tab is displayed and can be
changed if desired.
Volume intercept solution (mL) [> 0 mL ; 10 mL]
The volume of “Intercept solution” added is dis-
played and can be changed if desired.
Volume production bath (mL) [ > 0 mL ; 10 mL ] [read only]
(only displayed with MLAT)
The volume of “sample bath solution” added (see
Production bath solution, section 6.4) is dis-
played.
Cell volume (mL) [ > 0 mL ; 10 mL ] [read only]
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer (manually or pre-dosed with a
Dosing Device)) in the measuring vessel at the
start of the determination. The calculated sample
concentrations Conc. refer to this cell volume.
Add the intercept solution into the measuring ves-
sel and press <OK>.

START CALIBRATION
This window appears for the recording of calibra-
tion curves.

The window displays date and time of the deter-

mination start and the title of the method used.
Date and time in the format YYMMDDHHMM
(month-day-hour-minute) and the Sample ID are
used as default for the name of the determination
file to be saved automatically (e.g.
0706181712_sample.dth).

116 797 VA Computrace – Software

 5.3 Monitor

Calibration curve id [ 32 characters ; "sample" ]

Identification for calibration curve.
Add the calibration solution into the measuring
vessel and press <OK>.

MANUAL ADDITION
This window appears at the start of each manual
addition of standard solutions for standard addi-
tion determinations or the recording of calibration
curves.

Add (from solution no. X) (ml) [ > 0.01 ml ; 0 ml ]

The addition volume for the manual addition de-
fined in the Substances tab is displayed and can be
changed if desired. Add the addition solution into
the measuring vessel and press <OK>.
BATCH SOLUTION EXCHANGE
This window appears if the Batch with solution ex-
change option is selected for the measurement
technique. The number of the solution to be pla-
ced and the substances and their concentration
defined in the Substances tab are displayed. Add
this solution into the measuring vessel and press
<OK>.
END OF DETERMINATION
This window appears at the end of the determina-
tion. By pressing <OK>, the determination is
automatically saved if the Auto save determination
and signal option is enabled in the General tab of
the GENERAL SETTINGS window. The report ele-
ments checked in the Documentation tab are au-
tomatically printed out.

Graphical properties for monitoring curves

The graphical properties for curves in the MONITORING window
can be set by selecting the options of the context sensitive menu.
MONITORING / Page properties
The page properties of the MONITORING window
can be set with the page tab of the GRAPHICAL
PROPERTIES window (details see Page properties,
section 3.5).
The properties of the x and y axis can be set with
the x axis and y axis tab of the GRAPHICAL PROP-

797 VA Computrace – Software 117

 5 Determination mode

ERTIES window (details see Axis properties, sec-

tion 3.5).
MONITORING / Curve properties
The properties of the live curve can be set with the
Monitor curve tab of the GRAPHICAL PROPERTIES
window (details see Curve properties, section 3.5).

Copy to clipboard
MONITORING / Copy to clipboard
Copy the current live curve in the MONITORING
window to the clipboard.

5.4 Determination curves

Load/save determinations
Determination files (*.dth) contain the measurement data and the
determination method used. Existing files can be loaded, saved
again and exported by the following commands:

MAIN WINDOW / File / Load determination

Load an existing determination file into the work-
ing memory. The name of the determination
loaded is displayed in the status bar of the MAIN
WINDOW.
The current working method is not automatically
overwritten by the determination method, but its
parameters can be copied to the working method
afterwards.

MAIN WINDOW / File / Save determination

Save the current determination loaded in the
working memory. The old file will be overwritten.
MAIN WINDOW / File / Save determination as ...
Save the current determination loaded in the
working memory in a new file. Enter name and di-
rectory for storage of the determination file. If the
file name already exists, windows asks if you want
to overwrite the existing file.
MAIN WINDOW / File / Save calibration curve
(only accessible, if “Record calibration curve” is
chosen for Calibration on the WORKING METHOD
SPECIFICATION window)
Save the current calibration curve loaded in the
working memory. The old file will be overwritten.
MAIN WINDOW / File / Save calibration curve as
(only accessible, if “Record calibration curve” is
chosen for Calibration on the WORKING METHOD
SPECIFICATION window)

118 797 VA Computrace – Software

 5.4 Determination curves

Save the current calibration curve loaded in the

working memory in a new file. Enter name and di-
rectory for storage of the calibration curve file. If
the file name already exists, windows asks if you
want to overwrite the existing file.
MAIN WINDOW / File / Save response curve
(only accessible, if "RC Record response curve" is
chosen for Calibration on the WORKING METHOD
SPECIFICATION window)
Save the current response curve loaded in the
working memory. The old file will be overwritten.
MAIN WINDOW / File / Save response curve as
(only accessible, if "RC Record response curve" is
chosen for Calibration on the WORKING METHOD
SPECIFICATION window)
Save the current response curve loaded in the
working memory in a new file. Enter name and di-
rectory for storage of the calibration curve file. If
the file name already exists, windows asks if you
want to overwrite the existing file.
MAIN WINDOW / File / Export determination points
Save the measurement points of all sweeps of the
current determination loaded in the working
memory into a data file (extension *.txt). This data
file contains a block of the used method parame-
ters followed by the sweep blocks of X and Y val-
ues each preceded by VR number and number of
measurement points. The data files can be im-
ported into spreadsheet programs like Microsoft
Excel.
MAIN WINDOW / File / Export extended determination
points...
In the case of extended determination point
export, this data file contains a block of the used
method parameters followed by the voltammetric
parameters, a block peak evaluation, a block base-
line, a block solutions, a block export options and
the sweep blocks of X and Y values each preceded
by VR number and number of measurement
points.
MAIN WINDOW / File / Export results / Current Determina-
tion...
Save the results report of the current determina-
tion loaded in the working memory into an ASCII
file with extension *.txt, *.csv, or *.xml. This file
can be imported into spreadsheet programs like
Microsoft Excel (*.txt und *.csv) or in a LIMS (*.csv
and *.xml).
MAIN WINDOW / File / Export results / Determinations...
Save the results report of the selected determina-
tion into an ASCII file with extension *.txt, *.csv, or

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 5 Determination mode

*.xml. This file can be imported into spreadsheet

programs like Microsoft Excel (*.txt und *.csv) or in
a LIMS (*.csv and *.xml).

Copy parameters to working method

DETERMINATION CURVES / Edit /
Copy parameters to working method
Copy the parameters of the loaded determination
method into the WORKING METHOD SPECIFICA-
TIONS window (working method).

Determination curves window

The DETERMINATION CURVES window shows the determination
and calibration curves of the loaded determination.

The DETERMINATION CURVES window contains the following ten

subwindows which can be enlarged or reduced inside the DETER-
MINATION CURVES window by moving the frames with the mouse:

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 5.4 Determination curves

List of curves
The top subwindow lists all available curves of the determination
with the evaluated peak heights or peak charges .
Determination curves
The lower left subwindow shows a single or all determination
curves.
Calibration curves
At the right side of the determination curves, there are eight sub-
windows for display of each substance calibration curve.

Edit determination method parameters

DETERMINATION CURVES / Edit /

Determination method parameters
Open the EDIT DETERMINATION METHOD PARA-
METERS window for viewing and modifying the
parameters of the determination method used to
record the determination. This window contains
the tabs Specifications, Determination, Voltammet-
ric, Substances and Calculations. If parameters in
the EDIT DETERMINATION METHOD PARAMETERS
window are changed and <OK> is pressed, the de-
termination will be recalculated automatically.

Note: Irrespective whether fields have been modified or not, the

modification date is entered into the Modified line if the EDIT DE-
TERMINATION METHOD PARAMETER window is closed by clicking
<OK>. If the determination shall not be marked as “modified”, the
EDIT DETERMINATION METHOD PARAMETER window has to be
left with <Cancel>.

Note: These parameters will not automatically be used for the

next measurement. To do this, use the Copy parameters to working
method command (see Copy parameters to working method, sec-
tion 5.4).

Specifications
The Specifications tab of the EDIT DETERMINATION METHOD PA-
RAMETERS window contains the main specifications of the deter-
mination method. Only Title, Remark1 and Remark2 can be edited.

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 5 Determination mode

Title [ 0...68 characters ; "Method title" ]

Method title.
Remark1 [ 0...68 characters ; ]
Remark 1 regarding the method.
Remark2 [ 0...68 characters ; ]
Remark 2 regarding the method.
Calibration [ read only ]
Display of the calibration mode used for the de-
termination (details see Working method specifi-
cations window, section 5.2).
Technique [ read only ]
Display of the measurement technique used for
the determination (details see Working method
specifications window, section 5.2).
Mode [ read only ]
Display of VA measurement mode used (details
see VA measurement modes, section 3.2).
Addition [ read only ]
Display of the addition type used (details see
Working method specifications window, section
5.2) .

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 5.4 Determination curves

Electrode [ read only ]

Display of electrode used (details see Electrodes,
section 3.1).
Stirrer [ read only ]
Display of stirrer settings used (details see Stirring,
section 3.4).
Drop size [ read only ]
Display of drop size used (details see Electrodes,
section 3.1).
Potentiostat [ read only ]
Display of potentiostat settings used (details see
Potentiostat, section 3.3).

Determination
The Determination tab of the EDIT DETERMINATION METHOD PA-
RAMETERS window contains general specifications used for perfor-
ming the determination. For details, see the identical Determination
tab of the EDIT WORKING METHOD WINDOW, section 5.2. Only
Sample identifier, Sample amount(not with CVS and CPVS mode)
and Cell volume can be edited.

Voltammetric
The Voltammetric tab of the EDIT DETERMINATION METHOD PA-
RAMETERS window contains the parameters used for preparation
procedures and the VA measurement mode selected. For details,
see the identical Voltammetric tab of the EDIT WORKING METHOD
WINDOW, section 5.2. All parameters are read only.

Substances
The Substances tab of the EDIT DETERMINATION METHOD PA-
RAMETERS window contains parameters for the definition and rec-
ognition of substances, for the definition of addition solutions, for
peak evaluation and results calculation. For details, see the identical
Substances tab of the EDIT WORKING METHOD WINDOW, section
5.2.

Calculations
The Calculations tab of the EDIT DETERMINATION METHOD PARA-
METERS window contains a table with all formulae used for the
calculation of the final results for a substance. For details, see the
identical Calculations tab of the EDIT WORKING METHOD WINDOW,
section 5.2.

Export
The Export tab of the EDIT DETERMINATION METHOD PARAME-
TERS window contains settings for the export of determinations to
other file formats. For details, see the identical Export tab of the

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 5 Determination mode

EDIT WORKING METHOD WINDOW.

Edit addition parameters

DETERMINATION CURVES / Edit / Addition parameters /

Draw
Enable/disable the drawing of the curve selected
in list of curves. The entry in the Draw column of
the list is changed.

DETERMINATION CURVES / Edit / Addition parameters /

Draw selected
Draw only the curves selected in the list of curves.
The entries in the Draw column of the list are set
to “No" for all other curves.

DETERMINATION CURVES / Edit / Addition parameters /

Draw all
Draw all available curves. The entries in the Draw
column of the list are set to Yes for all curves.
DETERMINATION CURVES / Edit / Addition parameters / Use
Enable/disable the use of the object selected in the
list of curves for calculation. The entry in the Use
column of the list is changed and the substance
evaluation is recalculated.

DETERMINATION CURVES / Edit / Addition parameters / Use

selected
Use only the objects selected in the list of curves
for calculation. The entries in the Use column of
the list are set to No for all other objects.

DETERMINATION CURVES / Edit / Addition parameters / Use

all
Use all available objects for calculation. The entries
in the Use column of the list are set to Yes for all
objects.

Edit baseline
DETERMINATION CURVES / Edit / Baselines / "Substance
name"
Open the EDIT BASELINE window for modifying
the baseline evaluation for the selected substance
peak. The recalculated peak evaluation height is
displayed in the Substance column of the list of
curves.

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 5.4 Determination curves

Automatic
Switch on/off the automatic peak baseline evalua-
tion.
Begin Manual setting of the start base point for baseline
evaluation. The base point can be moved either by
manually changing the voltage value (time for
CPVS) in the first field or by clicking the but-
tons of the second field indicating the current
value. This field can only be edited if Automatic is
disabled.
End Manual setting of the end base point for baseline
evaluation. The base point can be moved either by
manually changing the voltage value (time for
CPVS) in the first field or by clicking the but-
tons of the second field indicating the current va-
lue. This field can only be edited if Automatic is
disabled.
Type [ Linear, Polynomial, Exponential, Horizontal ; Linear
]
Selection of the baseline type. This field can only
be edited if Automatic is disabled.
Scope [ Whole peak, Front end, Rear end ; Whole peak ]
Selection of the range for baseline evaluation. This
field can only be edited if the Linear baseline type
is selected.

Start baseline evaluation with the current parame-

ters entered in the EDIT BASELINE window.

Zooming
Curve regions in the determination curves subwindow can be
enlarged by zooming the desired area while pressing the left mouse
button ("drag a box"; reset see Auto scaling).

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 5 Determination mode

Auto scaling

DETERMINATION CURVES / Plot / Auto scale (F4)

Reset zooming and scale x and y axes so that all
measurement points of all determination curves
are visible.

Swap axis
DETERMINATION CURVES / Plot / Swap axis / abscissa
Swap x axis for the current determination curve.
DETERMINATION CURVES / Plot / Swap axis / ordinate
Swap y axis for the current determination curve.

Show baselines
DETERMINATION CURVES / Plot / Show baselines
If this option is enabled, the calculated baselines
are displayed in the determination curves subwin-
dow.

Show unknown peaks

DETERMINATION CURVES / Plot / Show Unknown peaks
If this option is enabled, all peaks found but not
assigned to a defined substance are marked in the
determination curves subwindow with "Unk".

Show spikes
DETERMINATION CURVES / Plot / Show Spikes
If this option is enabled, spikes are shown as red
points.

Graphical properties for determination curves

As default, the axes displayed in the determination curve subwin-
dow have the following orientation:
x axis The determination curves are displayed from the
left to the right (for anodic sweeps: from - to +;
for cathodic sweeps: from + to -). For cyclic
sweeps, the forward sweep is displayed from the
left to the right.
y axis The y axis is always displayed from the bottom to
the top with the same direction as the x axis (for
anodic sweeps: from - to +; for cathodic sweeps:
from + to -).
The following graphical properties for curves in the determination
curves subwindow can be set:
DETERMINATION CURVES / Plot / Properties / Curves window
The page properties of the determination curves

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 5.4 Determination curves

subwindow can be set with the page tab of the

GRAPHICAL PROPERTIES window (see Page prop-
erties, section 3.5). The properties of the x and y
axis can be set with the x axis and y axis tab of
the GRAPHICAL PROPERTIES window (see Axis
properties, section 3.5).
DETERMINATION CURVES / Plot / Properties / Blank
The properties of the blank curve can be set with
the Blank tab of the GRAPHICAL PROPERTIES win-
dow (details see Curve properties, section 3.5).
DETERMINATION CURVES / Properties / Sample
The properties of the sample curves can be set
with the Sample tab of the GRAPHICAL PROPER-
TIES window (details see Curve properties, section
3.5).
DETERMINATION CURVES / Plot / Properties / Other
The properties of all other determination curves
can be set with the Other curves tab of the GRA-
PHICAL PROPERTIES window (details see Curve
properties, section 3.5).
DETERMINATION CURVES / Plot / Properties / Baselines
The properties of the baselines can be set in the
LINE PROPERTIES window (details see Line prop-
erties, section 3.5).

Note: The line properties for determination curve lines can be set
in the LINE PROPERTIES window (details see Line properties, sec-
tion 3.5).

Graphical properties for calibration curves

The graphical properties for calibration curves in the calibration
curves subwindows can be set by selecting the options of the con-
text sensitive menu.
DETERMINATION CURVES / Page properties
The page properties of the calibration curves sub-
windows can be set with the page tab of the
GRAPHICAL PROPERTIES window (see Page prop-
erties, section 3.5). The properties of the x and y
axis can be set with the x axis and y axis tab of
the GRAPHICAL PROPERTIES window (see Axis
properties, section 3.5).

Copy/export graphics
The current content of the determination or calibration subwin-
dows can be copied to the clipboard or saved as emf files using the

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 5 Determination mode

following options of the context sensitive menu (click right mouse

button).
DETERMINATION CURVES / Copy to clipboard
Copy the content of the selected subwindow to
the clipboard.
DETERMINATION CURVES / Save as enhanced metafile
Copy the content of the selected subwindow as
enhanced metafile in the desired directory.

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 5.5 Results

5.5 Results
Results window overview
The RESULTS window contains the current full report for the
loaded determination. If the determination is recalculated, the RE-
SULTS window is automatically renewed.

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 5 Determination mode

The RESULTS window comprises the following parts:

Header
Metrohm 797 VA Computrace
Name of manufacturer and instrument.
(Version w1.3.x)
Version number of PC software.
(Serial No.)
Serial number of the instrument.

Determination data
Determination
Name of determination file.
Sample ID
Identification for sample (see Sample identifier on the De-
termination tab).
Creator method
Name of the logged-in user who created the method the
determination was done with.
Creator determ.
Name of the logged-in user who started the determination
with Date and Time of determination start.
Modified by
Name of the logged-in user who modified the determina-
tion for the last time with Date and Time of determination
modification. The display of "---" means that the deter-
mination has not been modified for sure.

Method data
Method
File name of the method used for the determination.
Title
Method title.
Remark1
Remark 1 regarding the method.
Remark2
Remark 2 regarding the method.

Sample data
Cell volume
Total volume of solution in the measuring vessel at the
start of the determination (see Cell volume on the Determi-
nation tab, section 5.2).
Sample amount
Amount of sample added to the measuring vessel (see
Sample amount on the Determination tab, section 5.2).

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 5.5 Results

Note: With the electroplating bath modes CVS and CPVS, and the
Calibration technique "LAT Record intercept value" Volume Inter-
cept Solution is indicated instead of Sample amount.

Note: With the electroplating bath modes CVS and CPVS, and the
Calibration techniques "LAT Standard addition for brighteners",
"MLAT Standard addition for brighteners" and "RC Sample with re-
sponse curve" Volume prod. bath is displayed instead of Sample
amount.

Substance evaluation
Substance
Substance name (see Substance on the Substances tab,
section 5.2).
Conc.
Calculated substance concentration referring to the total
volume of solution (Cell volume) in the measuring vessel at
the start of the first sweep.
Conc.dev.
Absolute and relative total deviation of the calculated sub-
stance concentration Conc..
Amount
Absolute substance amount in the measuring vessel.
Add.amount
Substance amount added in every standard addition (only
available for constant additions).

Note: For CVS and CPVS, additional evaluation values are dis-
played.

Peak evaluation
VR Number of variation and replication.
V Evaluated peak voltage (V).
A;W;A/V;C {for PSA/CCPSA: s/V;s;s/(V*V)}
Calculated eval. quantity (height, area, derivative or
charge)
i.mean; P.mean; mean; Q.mean(only with modes CVS and
CPVS)
Mean value of the evaluation quantity for all replications of
a variation.
Std.Dev.
Standard deviation of the evaluation quantity for all repli-
cations of a variation.

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 5 Determination mode

i.delta; P.delta; delta; Q.delta(Only with modes CVS

and CPVS)
Difference of two successive mean values of the evaluation
quantities.
Comments
Display of comments if any type of error appeared in the
sweep (e.g. Ovl. in scan = Overload during sweep; Ovl. in
CDE = Overload during cleaning or deposition; Ovl. in cond.
cycles = Overload during conditioning cycles; No peak
found = no peak found for defined substance; Not used =
peak is not used for calculation).

Note: For CVS and CPVS, two additional evaluation values are dis-
played: V(mL) and Q/Q(0).

Calibration data
Substance
Substance name (see Substance on the Substances tab,
section 5.2).
Calibr.
Calibration techniques std.add., rec.cc. or smp.cc. (see Cali-
bration on the Specifications tab, section 5.2).
For electroplating bath analytics: Calibration techniques
dt.rec.cc., dt.cc, mlat, lat rec.rc, sam.rc (see Calibration
techniques with CVS and CPVS, section 6.2).
Y.reg/offset
Evaluation quantity for the sample calculated from the
standard addition curve (for standard addition) or intercept
of the calibration curve (for calibration curves).
Slope
Slope of the standard addition or calibration curve.
Nonlin
Nonlinear factor for nonlinear calibration curves (only dis-
played, if "Nonlinear Regression" was chosen for parame-
ter Regression technique).
Corr.Coeff
Corrrelation Coefficient for linear calibration curves (only
displayed, if "Linear Regression" was chosen for parameter
Regression technique).
Mean deviat.
Calculated mean deviation of the measured values about
the standard addition or calibration curve.

Solutions
No. Number of Dosing Device used for addition or predose.
Content
Remarks regarding the solution (see Content on the DOSI-
NOS window, section 5.2).

132 797 VA Computrace – Software

 5.5 Results

predose volume (mL)

If the Dosing Device is used for solution predose, the mes-
sage Predose X.X mL is displayed in this column.
Electrode test
Shows the status of the electrode test before the determi-
nation.

Note: With the electroplating bath modes CVS and CPVS, and the
Calibration techniques "MLAT Standard addition for brighteners"
and "RC Sample with response curve", dosed volume after sample
transfer (mL) is displayed additionally.

Final results
Final results
Calculated results for the calculation formulae defined in
the CALCULATION window.
Res.dev.
Absolute and relative deviation of the final results.

Copy text to clipboard

Text selected in the RESULTS window can be copied to the clip-
board by selecting the Copy option of the context sensitive menu.
RESULTS / Select all
Select the whole text in the RESULTS window.
RESULTS / Copy
Copy the selected text to the clipboard.

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 5 Determination mode

5.6 Sample table

The SAMPLE TABLE window shows the sample data of the loaded
sample table.
With 863 Compact VA Autosampler:

With 838 Advanced Sample Processor:

Pos. [ for 863: 1, 3, 5 ... 127; read only ]

[ for 838: 1, 2, 3 ... 112; read only ]
Position of the sample on the sample rack.
For the 863 Compact VA Autosampler, only
odd numbers are displayed, since for every sam-
ple, a vessel containing rinsing solution must be
placed at the even sample rack positions.

For the 838 Advanced Sample Processor, all num-

bers are displayed in the sample table. Starting
point on the sample rack is always the last po-
sition + 1 (after switching on the 838 it starts with
rack position 1). If you want to start with a differ-
ent position, enter the position of the first sample
vessel for the 838 parameter "SAMPLE" with the
838 keypad.

134 797 VA Computrace – Software

 5.6 Sample table

Sample ID [ 32 characters ; "sample" ]

Identification for sample.
Amount [ > 0 ; 10 ]
Amount of sample added to the measuring vessel.
Unit [ mL, g ; mL ]
Selection of unit for sample amount.
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (sample + auxiliary solu-
tion, e.g. buffer) in the measuring vessel at the
start of the determination. The sample concentra-
tions Conc. refer to this cell volume.
Method
Selection of the method used for this sample.
Status [ read only ]
Display of sample determination status: Measur-
ing, Done or "empty" (ready for start).

Add a new sample data row. The SAMPLE win-

dow for entry of Method, Sample ID, Sample
amount, Sample unit, and Cell volume is opened.

Edit the selected sample data row. The SAMPLE

window for modification of Method, Sample ID,
Sample amount, Sample unit, and Cell volume is
opened.

Reset the Status of the sample data rows to "emp-

ty" in order to restart the current sample table.

Clear the contents of the selected sample data

row.

Print the sample table.

Load/save sample table

Sample table files (*.spt) containing sample table data can be cre-
ated, loaded and saved by the following commands:
SAMPLE TABLE / File / New
Load an empty sample table into the working
memory.
SAMPLE TABLE / File / Load
Load an existing sample table into the working
memory. The name of the sample table is dis-
played in the status bar of the MAIN WINDOW.
SAMPLE TABLE / File / Save
Save the current sample table loaded in the wor-
king memory. If the sample table has been chan-
ged since loading, the message The file already
exists. Overwrite? appears. Click Yes to overwrite

797 VA Computrace – Software 135

 5 Determination mode

the sample table file or No to cancel saving.

SAMPLE TABLE / File / Save As ...
Save the current sample table loaded in the work-
ing memory in a new file. Enter name and direc-
tory for storage of the sample table file. If the file
name already exists, windows asks if you want to
overwrite the existing file.

Edit sample table

The addition of new rows or the modification of existing rows in
the sample table is done in the sample table window using the
or button. In addition to this commands,
the following possibilities for edition are available:
SAMPLE TABLE / Edit / Cut
Cut the selected sample data row and copy it to
the clipboard.
SAMPLE TABLE / Edit / Copy
Copy the selected sample data row to the clip-
board.
SAMPLE TABLE / Edit / Copy previous
Copy the content of the previous row into the se-
lected sample data row.
SAMPLE TABLE / Edit / Paste
Copy the content of the clipboard into the selec-
ted sample data row.
SAMPLE TABLE / Edit / Delete
Clear the contents of the selected sample data
row.
SAMPLE TABLE / Edit / Reset
Reset the Status of the sample data rows in order
to restart the current sample table.

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 5.7 Printing in determination mode

5.7 Printing in determination mode

MAIN WINDOW / File / Print (Ctrl+P)
Print reports and/or curves. The PRINT OPTIONS
window appears for selection of the elements to
be printed.

Results
Printout of Full report or Short report.
Font size
Font size in points for report printout.
Comment
Printout of the method comment defined in the
accompanying field.
Determination curves
Printout of all determination curves.
Calibration
Printout of all calibration curves.
Curves on two pages
Printout of the determination and calibration
curves on two pages.
Determination method
Printout of the method parameters used for the
determination.

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 5 Determination mode

Working method
Printout of the method parameters of the working
method in the working memory.
Order [ 1...6 ; ]
Order of printout for the element.
Sample table
Printout of the sample table.

5.8 Data processing and evaluation

Data transfer
After the start of a determination, the parameters of the current
working method are copied into the determination method. The
parameters necessary for the VA measurement are then sent from
the PC to the VA Computrace via USB connection. The data acqui-
sition at the VA Computrace stand is started and controlled by the
internal processor, which receives and stores the measurement
data. At the end of each voltammogram, the recorded data are
sent back to the PC where they are evaluated and saved in a de-
termination file.

Data acquisition
The 797 VA Computrace stand operates according the potentio-
static, 3-electrode principle in which the voltage of the working
electrode is controlled with the aid of a virtually currentless refer-
ence electrode to the preset desired value and the current flows
across a separate auxiliary electrode. The voltage drop in the ana-
lysis solution is automatically compensated. Measurement of the
current with digitalization involves automatic matching of the am-
plifier sensitivity to the latest measured value so that measurements
are always performed with optimum accuracy.
The type of measured value recording, the measurement range and
the measurement frequency are defined by the selection of elec-
trode, VA measurement mode and the corresponding sweep pa-
rameters. The following combinations of electrode and VA mea-
surement mode are possible:

DC NP DP SqW AC CV PSA CCPSA CVS CPVS

DME (•) (•) • •
SMDE (•) (•) • •
HMDE • (•) • • • • • • •
RDE • (•) • • • • • • • •
(•) This combination can only be used in the exploratory mode.

The measured value pairs recorded per single measurement sweep

are stored in data blocks characterized by the VR number (variation

138 797 VA Computrace – Software

 5.8 Data processing and evaluation

and replication). This identification can be used to select the single

sweeps for display.
In connection with the measured value recording, the following
rules apply to the sweeps:
• The maximum number of variations (V) is limited to 29 (1 samp-
le + 28 additions), the maximum number of replications (R) to
10.
• The maximum number of measured values is memory limited. If
the memory needed for storage of the measured values ex-
tends 2 MB, the message There is not enough memory available
to measure the desired points appears. In this case, reduce the
number of data points per sweep.

Background compensation
In determinations with background compensation (Measure
blank option enabled) the values measured in the recording of the
blank sample are subtracted from the values of each subsequent
sweep.

Smoothing and differentiation

Following spike elimination and background compensation, the
measured values are smoothed. This is done by weighted moving
averaging using the Savitzky/Golay algorithm. The number of
points for averaging depends on the Smooth factor selected:
1 3-point weighed moving average
2 5-point weighed moving average
3 7-point weighed moving average
4 9-point weighed moving average
5 11-point weighed moving average
6 13-point weighed moving average
The applicable smooth factor heavily depends on the number of
points of the data set. The more points within the curve, the higher
the smooth factor can be without modifying the curve too much.
Although the smoothed curve itself is not shown, the influence of
the smoothing can be seen in the peak recognition and baseline
calculation.
In smoothing, the curve is also automatically differentiated to give
the derived curve (first derivative) which is used for peak recogni-
tion.

Peak recognition
With the derived curves a search is made for successive minima and
maxima. A maximum followed by a minimum indicates a normal
peak, a minimum followed by a maximum a reverse peak. With the

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 5 Determination mode

aid of these measured maxima and minima values, the Peak volt-
age and Peak width values are determined for each peak. After the
peak detection a baseline is constructed. The Peak height is deter-
mined from the value of the peak maximum minus the value of the
baseline at the position of the peak voltage.

i Peak width
Minimum peak width
Peak height
Minimum peak height

U
Peak position ± Tolerance

di/dU
Derivative

U
Umax Umin
Peak voltage

• Peak voltage = (Umax +

Umin) / 2
• Peak width = ⎥ Umin - Umax ⎥

• Peak height = Peak height at peak

voltage

The peaks found are assigned to defined substances with the aid of
these approximate values and the recognition parameters specified
for the substances on the Substances tab. The following three rec-
ognition tests are performed:

Peak voltage test: Peak voltage = Peak position ± Tolerance

Peak width test: Peak width > Minimum peak width
Peak height test: Peak height > Minimum peak height

If all three test conditions are met, this peak is assigned to the cor-
responding substance and thus recognized as a substance peak. In
the curve display, this peak is marked with the substance name
"Substance".
If only the last two test conditions are met, this peak is recognized
as an unknown peak but not assigned to a substance. In the curve
display, this peak is marked with "Unk".

Baseline calculation
Recognized peaks are evaluated using approximated baselines. The
calculation of a baseline for a smoothed substance peak is deter-

140 797 VA Computrace – Software

 5.8 Data processing and evaluation

mined by the baseline parameters set for this substance in the

BASELINE window (see Baseline, section 5.2). The following possi-
bilities exist for baseline calculation:

Linear Linear Linear

Whole Peak Front end Rear end

Start End

Polynomial Exponential Horizontal

Whole Peak Whole Peak Whole Peak

Start End Start End Start End

As default, the start and end base points of the baselines are calcu-
lated automatically. They can be set to fixed voltage values if de-
sired. The baseline scope Front end or Rear end for linear baselines
should be selected for asymmetric or double peaks.

Evaluation quantity calculation

The peak evaluation quantity is identical for all peaks of a determi-
nation and must be set on the Substances tab of the EDIT WOR-
KING METHOD PARAMETERS window (see Working method speci-
fications window, section 5.2). With the aid of the calculated base-
lines, the set evaluation quantity Height, Area, Derivative or Coulo-
metric is determined for each substance peak and displayed as a
result.

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 5 Determination mode

Voltammogram Chronoamperogram
i Peak area / Coulometric i

Peak height Peak area / Coulometric

U
t

di/dU
Derivative

U
Peak voltage

Comparing the evaluation quantities Area and Coulometric you

have to consider the differences between voltammograms and
chronoamperograms:
Voltammogram:
• Area is Power (Voltage * Current): V*A =W
• Coulometric is Charge (Voltage * Current / Sweep rate):
V*A/(V/s) = A*s = C
Chronoamperogram:
• Area is Charge (Current * time): A*s =C
• Coulometric is Charge (Current * time): A*s =C

Content calculation
With polarographic and voltammetric methods, the measured eva-
luation quantities (Height, Area, Derivative or Coulometric) for a
substance are proportional to its mass concentration. The relation
between evaluation quantity and mass concentration must be de-
termined by a calibration with reference solutions. The 797 VA
Computrace offers the following two techniques for this:
• Standard addition
Content determination using single or multiple addition of a
standard solution.
• Calibration curve
Content determination using a calibration curve previously de-
termined with reference solutions.
The goal of these calibration methods is to calculate the sample
concentration c(s) which is defined by the found substance
amount Amount and the sample amount (mass or volume) in the
measuring vessel Sample amount:

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 5.8 Data processing and evaluation

c(s) = Amount / Sample amount

Note: With the electroplating modes CVS and CPVS different Cali-
bration techniques are used.

Dilution calculation
In all cases in which the sample volume is diluted in the measuring
vessel (e.g. by addition of buffer) before the start of the first sweep,
this must be taken into consideration by entering the two parame-
ters Sample amount and Cell volume on the Determination tab of
the EDIT WORKING METHOD PARAMETERS window (see
Determination, section 5.2).
If the sample is additionally diluted after the start of the first sweep
(e.g. by standard addition solutions), the dilution is recalculated
continuously for every dilution step so that the effective mass con-
centration of the analyte in the measuring vessel is shown in the
calibration curve for each measurement solution.
If an auxiliary solution is added by a Dosing Device using the Use
for predose or Use after sample transfer function, this volume must
be taken into consideration by modifying the Cell volume manually.

Standard addition calculation

In the standard addition method, a known amount of the analyte is
added once or several times to the sample. The addition may be
performed manually or automatically using a Dosing Device. The
following procedure is used to calculate the sought mass con-
centration of the sample:
1. Measurement of sample solution
The sample solution with the unknown mass concentration c(s)
of the sample is measured one or more times (defined by No. of
replications). This gives:
EV(s) Evaluation quantity of a single measure-
ment for the sample
mean(s) Mean value of all evaluation quantities for
the sample
Std.dev.(s) Standard deviation of the individual value
EV(s) = s(s)
2. Measurement of spiked sample solutions
The sample solution is spiked n times (defined by No. of addi-
tions) with a standard solution of known mass concentration
c(st). Each of these spiked solutions is measured one or more
times (defined by No. of replications). This gives:
EV(n) Evaluation quantity of a single measure-
ment for the spiked sample n

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 5 Determination mode

mean(n) Mean value of all evaluation quantities for

spiked sample n
Std.dev.(n) Standard deviation of the individual value
EV(n) = s(n)
c(n) – c(s) Difference in the mass concentrations be-
tween the spiked sample n and the origi-
nal sample solution

3. Determination of standard addition curve

For the calculation of the linear standard addition curve, the
parameters a and b of the linear regression curve y = a + bx
are calculated by weighted least square minimization with
y = EV and x = c – c(s). The weight factor for each point is
the standard deviation obtained from the replications. The pa-
rameters a and b are displayed in the RESULTS window and
have the following meaning:
a = Y.reg/offset Intercept of std.add. curve
b = Slope Slope of std.add. curve

4. Calculation of mass concentration c(s)

A requirement for the use of the standard addition is that when
c = 0 the evaluation quantity EV = 0. If 0 is substituted for
these two quantities in the calibration function, the sought
mass concentration c(s) can be calculated from the equation:
c(s) = a / b
In the graphical representation of the standard addition curve,
the sought mass concentration on the x-axis is given by the dis-
tance between the zero point and the intersection point with
the calibration function.

Slope
EV

Sample

Standard additions

Y.reg/offset
0
c - c(s)
c(s)

5. Calculation of result deviation Conc.dev.

The total deviation of the calculated substance concentration
Conc. is determined using a linear error calculation. Indepen-
dent of the number of measurements, the total deviation
Conc.dev. is always calculated in a way that Conc. ±
Conc.dev. gives the range in which the mass concentration
may be expected with a probability of 68.3%.

144 797 VA Computrace – Software

 5.8 Data processing and evaluation

Rules for standard addition

Standard addition is the usual calibration technique for the ma-
jority of the applications possible with the 797 VA Computrace. Its
advantage lies in its high dependability as the calibration in the
sample takes place under real matrix conditions and all measure-
ment parameters remain unchanged. With regard to optimum ac-
curacy and scatter, several rules must be observed in standard ad-
dition:
• Check linearity range
In development of the method, the linearity range should be
checked for each substance. This involves performing several
standard additions over a wide concentration range. Using the
calibration curve shown on DETERMINATION CURVES window,
you can then determine the region in which the standard addi-
tion is linear and that in which it is nonlinear.
• Addition procedure
If the substance content lies in the linear range, multiple stan-
dard addition is meaningful only if you wish to check the linear-
ity in every determination. To reduce the scatter, it is better to
spike the solution once only and to choose as many replications
as possible.
• Standard addition ratio 1:2 to 1:5
The optimum standard addition ratio for the entire standard
addition is from 1:2 to 1:5, i.e. the sum of all standard addition
amounts should be 2 to 5 times the amount of sample in the
measuring vessel. This can be easily checked later with the pa-
rameters Amount and Add.amount put out in the RESULTS
window.
• Consideration of blank values
Any blank values must be determined separately and subtrac-
ted by means of the formula in the CALCULATION window.

Calibration curve calculation

The content determination using a calibration curve is performed in
two steps:
• First the relation between the mass concentration c of a sub-
stance and the evaluation quantity EV is determined by mea-
suring different reference solutions.

Note: "Minimum number" as well as "Recommended number"

of calibration points which have to be determined for a reliable
calibration depend on the chosen Regression technique on the
tab Substances of the window EDIT WORKING METHOD PARA-
METERS:

Minimum Recommended
number number

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 5 Determination mode

Linear Regression: 2 ≥3

Nonlinear Regression: 3 ≥5

Linear Regression (through Zero): 1 ≥2

Nonlinear Regression (through Zero): 2 ≥4

Linear Interpolation: 2 ≥2

Quadratic Interpolation: 3 ≥5

If less than the "Recommended number" of calibration points

are used for the calculation, the regression curve might does
not fit ideally. Therefore you should always use the "Recom-
mended number" of calibration points.

• Finally, the sample is measured and its mass concentration c(s)

determined using the recorded calibration curve.
In the content determination using a calibration curve, the follow-
ing procedure is used to calculate the sought mass concentration
c(s) of the sample:

1. Measurement of calibration solutions

The calibration solutions with known mass concentration c(n)
are each measured several times (defined by No. of replica-
tions). This gives:
EV(n) Evaluation quantity of a single measure-
ment for calibration solution n
mean(n) Mean value of all evaluation quantities for
calibration solution n
Std.dev.(n) Standard deviation of the individual value
EV(n)= s(n)
c(eff,n) Effective mass concentrations of the cali-
bration solutions (calculated from c(n)
taking the dilution into account)

2. Determination of calibration curve

The calculation curve is calculated according to one of the four
possible model functions selected under Regression technique
on the Substances tab:
y = a + bx Straight line = Linear Regression / Linear
Interpolation
y = bx Straight line through zero point =
Linear Regression (trough Zero)
4
y = a + b x+ d x Nonlinear curve of 4th degree =
Nonlinear Regression
4
y = b x+ d x Nonlinear curve of 4th degree through
zero point = Nonlinear Regression
(trough Zero)

146 797 VA Computrace – Software

 5.8 Data processing and evaluation

2
y = a + b x+ c x Nonlinear curve 2nd degree = Quadratic
Regression
The parameters a, b and d of the regression curves are calcu-
lated by weighted least square minimization with y = EV and x
= c(eff). The weight factor for each point is the standard devia-
tion obtained from the replications. The parameters are dis-
played in the RESULTS window and have the following mean-
ing:
a = Y.reg/offset Intercept of calibration curve
b = Slope Slope of calibration curve in the
linear region
d = Nonlin. Non-linearity factor

EV Calibration solutions Linear

Nonlinear
Slope
Linear (trough Zero)

Nonlinear (trough Zero)

Y.offset Quadratic
0
0 c(eff)

3. Measurement of sample solution

The sample solution with the unknown mass concentration c(s)
of the sample is measured one or more times (defined by No. of
replications). This gives:
EV(s) Evaluation quantity of a single measure-
ment for the sample
mean(s) Mean value of all evaluation quantities for
the sample
Std.dev.(s) Standard deviation of the individual value
EV(s) = s(s)

4. Calculation of mass concentration c(s)

The sought mass concentration c(s) of the sample is calculated
by inserting mean(s) in the calibration function determined
earlier:
4
mean(s) = d c(s) + b c(s) – a

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 5 Determination mode

EV
Sample

mean(s)

c(s) c(eff)

5. Calculation of result deviation Conc.dev.

The total deviation of the calculated substance concentration
Conc. is determined using a linear error calculation which takes
into account both the error contribution from the measure-
ment and that from the calibration. Independent of the number
of measurements, the total deviation Conc.dev. is always cal-
culated in a way that Conc. ± Conc.dev. gives the range in
which the mass concentration may be expected with a prob-
ability of 68.3%.

Rules for calibration curves

The result determination with the aid of a calibration curve sa-
ves time compared with standard additions, but is reliable only
• if the matrix of all samples and calibration solutions is identical
or has no influence on the measurement.
• if all measurement parameters (capillary, temperature, etc.) re-
main unchanged during measurements.
• if the accuracy of the results obtained is checked regularly with
the standard addition method.
With regard to optimum accuracy and scatter, a number of rules
must be observed with calibration curves:
• Check linearity range
In development of the method, the linearity range of the cali-
bration curve should be checked for each substance by recor-
ding the curve over a wide concentration range. Using the cali-
bration curve shown in the DETERMINATION CURVES window,
you can then determine the region in which the curve is linear
and that in which it is nonlinear.
• Working in the linear range
Performing determinations in the linear range, to keep the scat-
ter as low as possible it is advisable to calibrate above all in the
lower and upper part of this range and select as many re-
plications as possible.
• Checking the offset
The size of the offset indicates a possible systematic error or
blank value. To convert this error into the effective mass con-
centration in g/L, Y.offset must be divided by Slope.

148 797 VA Computrace – Software

 5.8 Data processing and evaluation

• Determining the working range

The calibration curve is defined only for the range between the
calibration solutions with the lowest and highest mass concen-
trations. Extrapolations outside this range are not allowed.
• Keep temperature constant
Owing to the large temperature dependence of the measured
values (≥ 2%/°C), it is advisable to work with the 6.1418.220
thermostatted measuring vessel.
• Consideration of blank values
Any blank values must be determined separately and sub-
tracted by means of the formula in the CALCULATION window.

Formula calculation
The last step in the evaluation is the calculation of the calculation
formulae entered in the CALCULATION window for the output of
the Final results:

Without changing the default values for Multiplier, Divisor, and

Summand, the Final Result is calculated as the concentration
multiplied by the Cell volume and divided by the Sample amount.
The final result has the Final unit selected in the CALCULATION
window.

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 6 Electroplating Bath VA

6 Electroplating Bath VA

6.1 Electroplating Bath VA – Introduction

The 797 VA Computrace has two special modes for electroplating

bath analysis: CVS (Cyclic Voltammetric Stripping) and CPVS (Cy-
clic Pulse Voltammetric Stripping). Working with these two modes,
you have to consider that some settings and options differ from
working with the other modes.

6.2 Calibration techniques with CVS and CPVS

With CVS and CPVS, 8 Calibration techniques are available:
• Standard addition plating bath
• LAT Record intercept value
• LAT Standard addition for brighteners
• MLAT Standard addition for brighteners
• DT Suppressors with calibration curve
• DT Record calibration curve
• RC Sample with response curve
• RC Record response curve

Standard addition plating bath

“Standard addition plating bath” is a Calibration technique for CVS
and CPVS. It is mainly used to develop methods:
• Optimize addition volumes and concentrations (e.g. to get
“Addition ratio” after 5 to 20 additions for “DT Record cali-
bration curve” and “DT Suppressors with calibration curve”)
• Optimize dilution with "Intercept solution" for “MLAT”
• Check linear range of standard addition (with “LAT” and
“MLAT”)

Determination tab with Calibration technique “Standard

addition plating bath”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the

150 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

determination. The parameters displayed depend on the selected

Calibration technique and measurement Technique. With “Standard
addition plating bath” following parameters have to be defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample. The Sample identifier is
used for the file name.
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (e.g. Virgin Make-up So-
lution, see VMS (Virgin Make-up Solution), section
6.4) in the measuring vessel at the start of the de-
termination.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning measu-
rements” is the No. of conditioning measurements
multiplied with the number of Save last .. sweeps
(Voltammetric tab). “Total number of conditioning
measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all
saved sweeps of the last two “conditioning meas-
urements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first measu-
rement, the Initial mixing time is used).
No. of additions [ 0...28 ; 2 ]
Number of additions of additive standard solution.
No. of replications [ 1...10 ; 2 ]
Number of replications (= total number of meas-
urements) for each variation (sample, standard
addition, calibration level, conditioning measure-

797 VA Computrace – Software 151

 6 Electroplating Bath VA

ment). For cyclic modes (CV, CVS, CPVS) the “total

number of measurements” is the No. of replica-
tions multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of
measurements” must not exceed 10.

Voltammetric tab with Calibration technique “Standard

addition plating bath”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. The parameters displayed depend on the
measurement mode selected in the WORKING METHOD SPECIFICA-
TIONS window. With “Standard addition plating bath” following
parameters have to be defined:

Initial mixing time (s) [ 0...80600 s ; 10 s ] (see Initial mixing time

with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles (see Conditioning cycles with CVS and CPVS,
section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ]
Time during which the Cleaning potential is app-
lied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep
The sweep parameters depend on the mode (see

152 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

CVS - Cyclic Voltammetric Stripping section 3.2,

and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2)

Substances tab with Calibration technique “Standard addition

plating bath”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak
evaluation and results calculation. The parameters displayed de-
pend on the Calibration technique selected in the WORKING MET-
HOD SPECIFICATIONS window. With “Standard addition plating
bath” following parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Additive solution
Definition of addition solutions for standard addi-
tion.
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number. If a
mixed standard solution is used, the number of
this solution must be entered for each substance
present in the mixed solution.

Achtung: Dosino 1..3 refer to Dosinos con-

nected to the 797 VA Computrace. Dosino 4...7
refer to Dosinos connected to the 846 Dosing In-
terface (to MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ fL/L...mL/L ; mL/L ]
Unit for concentration of addition solution.

797 VA Computrace – Software 153

 6 Electroplating Bath VA

Volume (mL) [ > 0.01 mL / var ; 0 mL ]

Addition volume. For entering variable addition
volumes, click the button to open the EDIT
VARIED ADDITION window for the selected sub-
stance (details see Variable addition, section 5.2).
In this case, var is entered into the field instead of
a fixed value. This field only appears once for solu-
tions with the same number (mixed standards)
and it is not displayed if 0 is entered as solution
number.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-
ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated
baseline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).

LAT Record intercept value

"LAT Record intercept value” is a Calibration technique for CVS and
CPVS. It is used to determine the "Intercept value". That "Intercept
value" is later used automatically for Brightener determination
with the Calibration technique "LAT Standard addition for bright-
eners".

Note: If possible, “MLAT” should be the preferred Calibration

technique for Brightener determination. With “MLAT” the “Inter-
cept solution” and “Bath solution” are measured together, what
minimizes fluctuations caused by solution exchange and time dis-
placement of the measurements.

154 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Note: A determined "Intercept value" can only be adopted auto-

matically, if the checkbox Save calibration curves additionally with-
out date and time on the General tab of the GENERAL SETTINGS
window is checked.

Determination tab with Calibration technique “LAT Record

intercept value”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “LAT Re-
cord intercept value” following parameters have to be defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample.
Note: The sample identification is used for the file
name. To make sure that always the latest inter-
cept file is taken for the calculation when analy-
zing Brightener with the 838 Advanced Sample
Processor and "LAT", this Sample identifier must
match with the name of the intercept file defined
for the parameter Intercept determination on the
Determination tab with Calibration technique
"LAT".

Example for Sample identifier: Intercept

Volume intercept solution (mL) [> 0 mL ; 10 mL]
The volume of intercept solution added (see
Intercept solution, section 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ]
Shows the volume given for Volume intercept so-
lution.
Initial electrode conditioning (see Initial electrode conditioning,
section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning mea-
surements” is the No. of conditioning measure-
ments multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of con-
ditioning measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning mea-
surements”.

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 6 Electroplating Bath VA

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

No. of replications [ 1...10 ; 2 ]

Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of replica-
tions multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of mea-
surements” must not exceed 10.

Voltammetric tab with Calibration technique “LAT Record

intercept value”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. The parameters displayed depend on the
measurement mode selected in the WORKING METHOD SPECIFICA-
TIONS window. With “LAT Record intercept value” following pa-
rameters have to be defined:

Initial mixing time (s) [ 0...80600 s ; 10 s ] (see Initial mixing time

with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles (see Conditioning cycles with CVS and CPVS,
section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ]
Voltage applied to the electrodes during the
Cleaning time.

156 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Cleaning time (s) [ 0...80600 s ; 0 s ]

Time during which the Cleaning potential is ap-
plied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,
and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2)

Substances tab with Calibration technique “LAT Record

intercept value”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak evalu-
ation and results calculation. The parameters displayed depend on
the Calibration technique selected in the WORKING METHOD SPE-
CIFICATIONS window. With “LAT Record intercept value” following
parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-
ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.

797 VA Computrace – Software 157

 6 Electroplating Bath VA

Area
Peak area between peak curve and calculated
baseline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).

LAT Standard addition for brighteners

Linear Approximation Technique (“LAT Standard addition for
brighteners”) is a Calibration technique for CVS and CPVS. It is
mainly used to analyze Brighteners in electroplating baths. It is cho-
sen, if the difference between Q(“Intercept solution” + “Bath solu-
tion”) and Q(only “Intercept solution”) is too small to use “MLAT
Standard addition for brighteners”.
The "Intercept value" needed for the calculation can be recorded
and adopted automatically with the Calibration technique "LAT Re-
cord intercept value".

Note: If possible, “MLAT” should be the preferred Calibration tech-

nique for Brightener determination. With “MLAT”, “Intercept solu-
tion” and “Bath solution” are measured successively in the same
method run, what minimizes fluctuations caused by solution ex-
change and time displacement of the measurements.

Note: A determined "Intercept value" is only adopted automati-

cally if the checkbox Save calibration curves additionally without
date and time on the General tab of the GENERAL SETTINGS win-
dow is checked.

Determination tab with Calibration technique “LAT”

The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “LAT

158 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Standard addition for brighteners” following parameters have to be

defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample. The Sample identifier is
used for the file name.
Volume production bath (mL) [> 0 mL ; 10 mL]
The volume of sample bath solution added (see
Production bath solution, section 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ]
Total volume of solution (“Production bath soluti-
on” + (if necessary) auxiliary solution) in the mea-
suring vessel at the start of the determination. The
sample concentrations Conc. calculated refers to
this cell volume.
The used "Intercept value" can be defined in 2 ways:
Intercept value (mC) [> 0 ; 0 ] [± ; 0 ]
Read the previously determined "Intercept value"
out of the report and enter it here.
Intercept determination
Define the Intercept-file (the file in which the de-
termination of the "Intercept value" was(will be)
saved). The method then reads out the value for
the calculation automatically. Use the button
to search for the file.

Note: To make sure that always the latest inter-

cept file is taken for the calculation when analyz-
ing Brightener with the 838 Advanced Sample
Processor and "LAT", the name of the intercept
file defined for Intercept determination, must
match with the parameter Sample identifier on the
Determination tab with Calibration technique "LAT
Record intercept value".

Example for Intercept determination:

C:\User XYZ\Data\Intercept.dth

Note: To make sure that always the latest inter-

cept file is taken for the calculation when analy-
zing Brightener with the 838 Advanced Sample
Processor and "LAT", the path of the intercept file
defined for Intercept determination, must match
with the path defined for the parameter Data fol-
der (for the currently logged-in user) on the tab
User Directories of the window USER RIGHTS.

Note: A determined intercept file curve is only

adopted automatically if the checkbox Save cali-
bration curves additionally without date and time

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 6 Electroplating Bath VA

on the General tab of the GENERAL SETTINGS

window is checked.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning meas-
urements” is the No. of conditioning measure-
ments multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of con-
ditioning measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning meas-
urements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first meas-
urement, the Initial mixing time is used).
No. of additions [ 0...28 ; 2 ]
Number of additions of additive standard solution.
No. of replications [ 1...10 ; 2 ]
Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of replica-
tions multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of
measurements” must not exceed 10.

Voltammetric tab with Calibration technique “LAT”

The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and

160 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

VA measurement modes. The parameters displayed depend on the

measurement mode selected in the WORKING METHOD SPECIFICA-
TIONS window. With “LAT Standard addition for brighteners” fol-
lowing parameters have to be defined:

Initial mixing time (s) [ 0...80600 s ; 10 s ] (see Initial mixing time

with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles (see Conditioning cycles with CVS and CPVS,
section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ]
Time during which the Cleaning potential is ap-
plied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with Equi-
libration potential applied to the electrodes. If the
checkbox Hydrodynamic (measurement) is not che-
cked, the stirrer is switched off during that time.
Sweep
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,
and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2).

Substances tab with Calibration technique “LAT”

The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak eva-
luation and results calculation. The parameters displayed depend
on the Calibration technique selected in the WORKING METHOD

797 VA Computrace – Software 161

 6 Electroplating Bath VA

SPECIFICATIONS window. With “LAT Standard addition for brighte-

ners” following parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Additive solution
Definition of addition solutions for standard addi-
tion.
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number. If a
mixed standard solution is used, the number of
this solution must be entered for each substance
present in the mixed solution.

Achtung: Dosino 1..3 refer to Dosinos connected

to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ fL/L...mL/L ; mL/L ]
Unit for concentration of addition solution.
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT
VARIED ADDITION window for the selected sub-
stance (details see Variable addition, section 5.2).
In this case, var is entered into the field instead of
a fixed value. This field only appears once for solu-
tions with the same number (mixed standards)
and it is not displayed if 0 is entered as solution
number.

162 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Contamination potential [ -5...5 ; 1.125 V ]

With CVS: If it is activated, the current is readout
for the defined potential during the last sweep (in
anodic direction) of the bath determination.
With CPVS: One of the defined stripping steps
(Voltammetric tab with Calibration technique
"LAT") can be selected. If it is activated, the cur-
rent is readout for the selected potential during
the last sweep (in anodic direction) of the bath de-
termination.
The Contamination potential correlates with the
concentration of organic degradation products in
the electroplating bath.
Chloride potential [ -5...5 ; 1.475 V ]
With CVS: If it is activated, the current is readout
for the defined potential during the last sweep (in
anodic direction) of the bath determination.
With CPVS: One of the defined stripping steps
(Voltammetric tab with Calibration technique
"LAT") can be selected. If it is activated, the cur-
rent is readout for the selected potential during
the last sweep (in anodic direction) of the bath de-
termination.
The Chloride potential correlates with the concen-
tration of chloride in the electroplating bath.
Regression technique [ Linear Regression ]
The regression is calculated with a straight line.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-
ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated
baseline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.

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 6 Electroplating Bath VA

Reverse sweep [ on, off ; off ]

Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).

MLAT Standard addition for brighteners

Modified Linear Approximation Technique (“MLAT Standard addi-
tion for brighteners”) is a Calibration technique for CVS and CPVS.
It is the standard technique to analyze Brighteners in electroplating
baths. If the difference between Q(“Intercept solution” + “Bath so-
lution”) and Q(only “Intercept solution”) is too small to use
“MLAT”, try “LAT Standard addition for brighteners”.

Determination tab with Calibration technique “MLAT”

The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “MLAT
Standard addition for brighteners” following parameters have to be
defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample. The Sample identifier is
used for the file name.
Volume production bath (mL) [> 0 mL ; 10 mL]
The volume of sample bath solution added (see
Production bath solution, section 6.4).
Cell volume (mL) [ > 0 mL ; 20 mL ] [ read only ]
Total volume of solution (“Intercept solution” +
“Production bath solution”) in the measuring ves-
sel after addition of “bath solution”. The sample
concentrations Conc. calculated refers to this cell
volume.
Volume intercept solution (mL) [> 0 mL ; 10 mL]
The volume of “Intercept solution” added.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning meas-
urements” is the No. of conditioning measure-
ments multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of con-
ditioning measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all

164 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

saved sweeps of the last two “conditioning mea-

surements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Additional conditioning after sample transfer

If this option is activated, an additional electrode
conditioning is started after sample addition. This
option can only be activated, if Initial electrode
conditioning is activated.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first meas-
urement, the Initial mixing time is used).
No. of additions [ 0...28 ; 2 ]
Number of additions of additive standard solution.
No. of replications [ 1...10 ; 2 ]
Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of replica-
tions multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of
measurements” must not exceed 10.

Voltammetric tab with Calibration technique “MLAT”

The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. The parameters displayed depend on the
measurement mode selected in the WORKING METHOD SPECIFICA-
TIONS window. With “MLAT Standard addition for brighteners” fol-
lowing parameters have to be defined:

Initial mixing time (s) [ 0...80600 s ; 10 s ] (see Initial mixing time

with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles (see Conditioning cycles with CVS and CPVS,
section 6.3)

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 6 Electroplating Bath VA

Start potential (V) [ -5...+5 V ; 0.2 V ]

Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ]
Time during which the Cleaning potential is ap-
plied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,
and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2)

Substances tab with Calibration technique “MLAT”

The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak eva-
luation and results calculation. The parameters displayed depend
on the Calibration technique selected in the WORKING METHOD
SPECIFICATIONS window. With “MLAT Standard addition for brigh-
teners” following parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.

166 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

With CPVS: Step potential [ read only ; step 1: 0.2 V ]

Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Additive solution
Definition of addition solutions for standard addi-
tion.
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number. If a
mixed standard solution is used, the number of
this solution must be entered for each substance
present in the mixed solution.

Achtung: Dosino 1..3 refer to Dosinos connected

to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ fL/L...mL/L ; mL/L ]
Unit for concentration of addition solution.
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT VA-
RIED ADDITION window for the selected substan-
ce (details see Variable addition, section 5.2). In
this case, var is entered into the field instead of a
fixed value. This field only appears once for soluti-
ons with the same number (mixed standards) and
it is not displayed if 0 is entered as solution num-
ber.
Contamination potential [ -5...5 ; 1.125 V ]
With CVS: If it is activated, the current is readout
for the defined potential during the last sweep (in
anodic direction) of the bath determination.
With CPVS: One of the defined stripping steps
(Voltammetric tab with Calibration technique
"MLAT") can be selected. If it is activated, the cur-
rent is readout for the selected potential during
the last sweep (in anodic direction) of the bath de-
termination.
The Contamination potential correlates with the
concentration of organic degradation products in
the electroplating bath.

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 6 Electroplating Bath VA

Chloride potential [ -5...5 ; 1.475 V ]

With CVS: If it is activated, the current is readout
for the defined potential during the last sweep (in
anodic direction) of the bath determination.
With CPVS: One of the defined stripping steps
(Voltammetric tab with Calibration technique
"MLAT") can be selected. If it is activated, the cur-
rent is readout for the selected potential during
the last sweep (in anodic direction) of the bath de-
termination.
The Chloride potential correlates with the concen-
tration of chloride in the electroplating bath.
Regression technique [ Linear Regression ]
The regression is calculated with a straight line.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-
ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated ba-
seline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).

DT Suppressors with calibration curve

“DT Suppressors with calibration curve” is a dilution titration cali-
bration technique for CVS and CPVS. It is mainly used to analyze
Suppressors in electroplating baths.
Choose the calibration curve in the field Calibration curve of the De-
termination tab (use “DT Record calibration curve” to record the
corresponding calibration curve). The parameters of the Voltam-
metric tab are automatically set to the values used while recording
the calibration curve.

168 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Note: A determined calibration curve can only be adopted auto-

matically if the checkbox Save calibration curves additionally with-
out date and time on the General tab of the GENERAL SETTINGS
window is checked.

Determination tab with Calibration technique “DT Suppressors

with calibration curve”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “DT Sup-
pressors with calibration curve” following parameters have to be
defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample. The Sample identifier is
used for the file name.
Volume VMS (mL) [ > 0 mL ; 10 mL]
The volume of the Virgin Make-up Solution (see
VMS (Virgin Make-up Solution), section 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ] [ read only ]
Total volume of solution (equal to the volume of
the VMS (Virgin Make-up Solution)) in the measu-
ring vessel at the start of the determination. The
sample concentrations Conc. calculated refers to
this cell volume.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning measu-
rements” is the No. of conditioning measurements
multiplied with the number of Save last .. sweeps
(Voltammetric tab). “Total number of conditioning
measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning measu-
rements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

797 VA Computrace – Software 169

 6 Electroplating Bath VA

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first mea-
surement, the Initial mixing time is used).
Calibration curve [ path + file name ; ]
Define the calibration curve file (the file in which
the determination of the calibration was(will be)
saved). The calibration curve can be recorded with
the Calibration technique “DT Record calibration
curve”.
Note: To make sure that for Suppressor analysis
with 838 Advanced Sample Processor and DT al-
ways the latest calibration file is taken for the cal-
culation, the name of the calibration file defined
for Calibration curve, must match with the para-
meter Sample identifier on the Determination tab
with Calibration technique "DT Record calibration
curve".
Example for Calibration curve:
C:\User XYZ\Data\Calibration Suppressor.dth
Note: To make sure that for Suppressor analysis
with 838 Advanced Sample Processor and DT al-
ways the latest calibration file is taken for the cal-
culation, the path of the calibration file defined for
Calibration curve, must match with the path de-
fined for the parameter Data folder (for the cur-
rently logged-in user) on the tab User Directories
of the window USER RIGHTS.

Note: A determined calibration curve is only

adopted automatically if the checkbox Save cali-
bration curves additionally without date and time
on the General tab of the GENERAL SETTINGS
window is checked.

No. of replications [ 1...10 ; 2 ]

Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of repli-
cations multiplied with the number of Save last ..

170 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

sweeps (Voltammetric tab). “Total number of mea-

surements” must not exceed 10.

Voltammetric tab with Calibration technique “DT Suppressors

with calibration curve”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. With the Calibration technique "DT Supp-
ressors with calibration curve" the Voltammetric parameters are
not editable. They depend on the parameters defined for recording
the calibration curve.
Following parameters have to be defined:

Initial mixing time (s) [ read only ] [ 0...80600 s ; 10 s ](see Initial

mixing time with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles [ read only ] (see Conditioning cycles with CVS
and CPVS, section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ] [ read only ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ] [ read only ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ] [ read only ]
Time during which the Cleaning potential is app-
lied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep [ read only ]
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,

797 VA Computrace – Software 171

 6 Electroplating Bath VA

and CPVS - Cyclic Pulse Voltammetric Stripping

section 3.2)

Substances tab with Calibration technique “DT Suppressors with

calibration curve”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak eva-
luation and results calculation. The parameters displayed depend
on the Calibration technique selected in the WORKING METHOD
SPECIFICATIONS window. With “DT Suppressors with calibration
curve” following parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Plating bath solution
Definition of plating bath solutions for standard
addition. The concentration of the plating bath is
not known (this is the concentration to be deter-
mined).
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number. Nor-
mally, only one plating bath solution is needed
(the one which is analyzed).
Achtung: Dosino 1..3 refer to Dosinos connected
to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT
VARIED ADDITION window for the selected sub-
stance (details see Variable addition, section 5.2).
In this case, var is entered into the field instead of

172 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

a fixed value. This field only appears once for solu-

tions with the same number (mixed standards)
and it is not displayed if 0 is entered as solution
number.

Regression technique
Selection of regression technique:
Linear Regression
The regression is calculated with a straight line.
Nonlinear Regression
The regression is calculated with a nonlinear
curve.
Linear Interpolation
The regression is calculated with a linear interpola-
tion through 2 points.
Quadratic Regression
The regression is calculated with a nonlinear
curve.
Peak evaluation [ Coulometric ] [ read only ]
Selection of peak evaluation quantity:
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).
Endpoint and evaluation criteria:
Addition ratio Q/Q(0) [ 0…1 ; 0.3]
The „Addition ratio“ defines the endpoint criteri-
on. After reaching this point, the standard additi-
ons are stopped and the “Calibration factor” is
calculated.
Evaluation ratio Q/Q(0) [ read only ]5]
The „Evaluation ratio“ defines the point of evalu-
ation for the calculation of the “Calibration factor”
Z.
Begin of evaluation Q/Q(0) [ 0…1 ; 1.0]
Only the measuring points between the „Begin of
evaluation“ and the „Evaluation ratio“ are used for
the calculation of the regression (linear, nonlinear
and quadratic).

797 VA Computrace – Software 173

 6 Electroplating Bath VA

DT Record calibration curve

“DT Record calibration curve” is used to record calibration curves
for the dilution titration calibration technique (with the CVS and
CPVS mode). Dilution titration Calibration technique is mainly used
to analyze Suppressors in electroplating baths. The calibration
curves recorded with this Calibration technique are used to de-
termine Suppressor concentrations with the Calibration technique
“DT Suppressors with calibration curve”.

Achtung: A determined calibration curve can only be adopted

automatically if the checkbox Save calibration curves additionally
without date and time on the General tab of the GENERAL SET-
TINGS window is checked.

Determination tab with Calibration technique “DT Record

calibration curve”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “DT Re-
cord calibration curve” following parameters have to be defined:
Sample identifier [ 32 characters ; "sample" ]
Identification for sample.
Note: The Sample identifier is used for the file na-
me. To make sure that for Suppressor analysis
with 838 Advanced Sample Processor and DT al-
ways the latest calibration file is taken for the cal-
culation, this Sample identifier must match with
the name of the calibration file defined for the pa-
rameter Calibration curve on the Determination
tab with calibration "DT Suppressors with calibra-
tion curve".
Example for Sample identifier:
Calibration Suppressor
Note: To make sure that for Suppressor analysis
with 838 Advanced Sample Processor and DT al-
ways the latest calibration file is taken for the cal-
culation, the path of the calibration file defined for
the parameter Calibration curve on the Substances
tab with Calibration technique "DT Suppressors
with calibration curve”, must match with the path
defined for the parameter Data folder (for the cur-
rently logged-in user) on the tab User Directories
of the window USER RIGHTS.

Note: A determined calibration curve is only

adopted automatically if the checkbox Save cali-

174 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

bration curves additionally without date and time

on the General tab of the GENERAL SETTINGS
window is checked.

Volume VMS (mL) [ > 0 mL ; 10 mL]

The volume of the Virgin Make-up Solution (see
VMS (Virgin Make-up Solution), section 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ] [ read only ]
Total volume of solution (equal to the volume of
the VMS (Virgin Make-up Solution)) in the measu-
ring vessel at the start of the determination. The
sample concentrations Conc. calculated refers to
this cell volume.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning measu-
rements” is the No. of conditioning measurements
multiplied with the number of Save last .. sweeps
(Voltammetric tab). “Total number of conditioning
measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning meas-
urements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first measu-
rement, the Initial mixing time is used).
No. of replications [ 1...10 ; 2 ]
Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of repli-

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 6 Electroplating Bath VA

cations multiplied with the number of Save last ..

sweeps (Voltammetric tab). “Total number of
measurements” must not exceed 10.

Voltammetric tab with Calibration technique “DT Record

calibration curve”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. With the Calibration technique "DT Re-
cord calibration curve" the Voltammetric parameters are not edit-
able. They depend on the parameters defined for recording the
calibration curve.
Following parameters have to be defined:

Initial mixing time (s) [ read only ] [ 0...80600 s ; 10 s ](see Initial

mixing time with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles [ read only ] (see Conditioning cycles with CVS
and CPVS, section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ] [ read only ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ] [ read only ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ] [ read only ]
Time during which the Cleaning potential is app-
lied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with Equi-
libration potential applied to the electrodes. If the
checkbox Hydrodynamic (measurement) is not che-
cked, the stirrer is switched off during that time.
Sweep [ read only ]
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,

176 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

and CPVS - Cyclic Pulse Voltammetric Stripping

section 3.2)

Substances tab with Calibration technique “DT Record

calibration curve”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak evalu-
ation and results calculation. The parameters displayed depend on
the Calibration technique selected in the WORKING METHOD SPE-
CIFICATIONS window. With “DT Record calibration curve” follo-
wing parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left si-
de of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Suppressor standard solution
Definition of addition solutions for standard addi-
tion.
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number.

Achtung: Dosino 1..3 refer to Dosinos connected

to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ fL/L...mL/L ; mL/L ]
Unit for concentration of addition solution.
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT VA-
RIED ADDITION window for the selected substan-
ce (details see Variable addition, section 5.2). In

797 VA Computrace – Software 177

 6 Electroplating Bath VA

this case, var is entered into the field instead of a

fixed value. This field only appears once for soluti-
ons with the same number (mixed standards) and
it is not displayed if 0 is entered as solution num-
ber.

Regression technique [ see below ; Linear Regression ]

Selection of regression technique:
Linear Regression
The regression is calculated with a straight line.
Nonlinear Regression
The regression is calculated with a nonlinear
curve.
Linear Interpolation
The regression is calculated with a linear interpola-
tion through 2 points.
Quadratic Regression
The regression is calculated with a nonlinear
curve.
Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-
ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated ba-
seline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).
Endpoint and evaluation criteria:
Addition ratio Q/Q(0) [ 0…1 ; 0.3]
The „Addition ratio“ defines the endpoint criteri-
on. After reaching this point, the standard additi-

178 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

ons are stopped and the “Calibration factor” is

calculated.
Evaluation ratio Q/Q(0) [ 0…1 ; 0.5]
The “Evaluation ratio” defines the point of evalua-
tion for the calculation of the “Calibration factor”
Z.
Begin of evaluation Q/Q(0) [ 0…1 ; 1.0]
Only the measuring points between the „Begin of
evaluation“ and the „Evaluation ratio“ are used for
the calculation of the regression (linear, nonlinear
and quadratic).

RC Sample with response curve

"RC Sample with response curve" is a "Response Curve Technique"
which can be used with the CVS and CPVS mode). The Response
Curve is a normalized calibration curve for electroplating bath addi-
tives with suppressing impact. The "Response Curve Technique" is
used for the determination of Suppressor in electroplating baths if
the "Dilution Titration Technique" can't be applied.
Choose the desired response curve in the field Response curve of
the Determination (Use "RC Record response curve" to record the
response curve).

Note: A determined response curve file can only be adopted au-

tomatically if the checkbox Save calibration curves additionally
without date and time on the General tab of the GENERAL SET-
TINGS window is checked.

Determination tab with Calibration technique “RC Sample

with response curve”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With "RC Sam-
ple with response curve" following parameters have to be defined:
Sample identifier [ 32 Zeichen ; "sample" ]
Identification for sample. The Sample identifier is
used for the file name.
Volume production bath (mL) [> 0 mL ; 10 mL]
The volume of sample bath solution added (see
Production bath solution, Kap. 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ] [ read only ]
Zellvolumen; gesamtes Lösungsvolumen (ist gleich
gross wie das Volumen der VMS (Virgin Make-up
Solution)) im Messgefäss beim Start der Bestim-
mung. Die berechneten Probekonzentrationen
Conc. beziehen sich auf dieses Zellvolumen.

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 6 Electroplating Bath VA

Add production bath to electrolyte [ on, off ; off ]

If is activated, the Production bath solution is ad-
ded to the Electrolyte solution. If it is not activa-
ted, the Electrolyte solution is siphoned off before
the Production bath solution is placed into the the
measuring vessel.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning measu-
rements” is the No. of conditioning measurements
multiplied with the number of Save last .. sweeps
(Voltammetric tab). “Total number of conditioning
measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning measu-
rements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Additional conditioning after sample transfer

If this option is activated, an additional electrode
conditioning is started after sample addition. This
option can only be activated, if Initial electrode
conditioning is activated.

Response curve [ path + file name ; ]

Choose the file which contains the desired respon-
se curve (the response curve can be recorded with
the Calibration technique "RC Record response
curve").
Achtung: To make sure that for "Suppressor ana-
lysis with 838 Advanced Sample Processor and
RC" always the latest response curve file is taken
for the calculation, the name of the file chosen for
Response curve, must match with the parameter
Sample identifier on the Determination tab with
Calibration technique "RC Record response curve".

180 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Example for Response curve:

C:\User XYZ\Data\Response curve.dth
Achtung: To make sure that for "Suppressor ana-
lysis with 838 Advanced Sample Processor and
RC" always the latest response curve file is taken
for the calculation, the path of the file chosen for
Response curve, must match with the path defined
for the parameter Data folder (for the currently
logged-in user) on the tab User Directories of the
window USER RIGHTS.

Achtung: A determined response curve file is on-

ly adopted automatically if the checkbox Save ca-
libration curves additionally without date and time
on the General tab of the GENERAL SETTINGS
window is checked.

No. of replications [ 1...10 ; 2 ]

Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of replica-
tions multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of mea-
surements” must not exceed 10.

Voltammetric tab with Calibration technique “RC Sample with

response curve”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. With the Calibration technique "RC Sam-
ple with response curve" the Voltammetric parameters are not ed-
itable. They depend on the parameters defined for recording the
calibration curve.
Following parameters have to be defined:

Initial mixing time (s) [ read only ] [ 0...80600 s ; 10 s ](see Initial

mixing time with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles [ read only ] (see Conditioning cycles with CVS
and CPVS, section 6.3)
Start potential (V) [ -5...+5 V ; 0.2 V ] [ read only ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ] [ read only ]
Number of conditioning cycles.

797 VA Computrace – Software 181

 6 Electroplating Bath VA

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ] [ read only ]
Time during which the Cleaning potential is ap-
plied to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep [ read only ]
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,
and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2)

Substances tab with Calibration technique “RC Sample with

response curve”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak evalu-
ation and results calculation. The parameters displayed depend on
the Calibration technique selected in the WORKING METHOD SPECI-
FICATIONS window. With “RC Sample with response curve” follow-
ing parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.
With CPVS: Step potential [ read only ; step 1: 0.2 V ]
Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.

182 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

Regression technique [ read only ]

The regression technique is displayed.
Peak evaluation [ Coulometric ] [ read only ]
Selection of peak evaluation quantity:
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).
Endpoint and evaluation criteria
Begin of evaluation Q/Q(0) [ read only ]
Only the measuring points between the „Begin of
evaluation“ and the „Evaluation ratio“ are used for
the calculation of the regression (linear, nonlinear
and quadratic).

RC Record response curve

"RC Sample with response curve" is a "Response Curve Technique"
which can be used with the CVS and CPVS mode). The Response
Curve is a normalized calibration curve for electroplating bath addi-
tives with suppressing impact. The "Response Curve Technique" is
used for the determination of Suppressor in electroplating baths if
the "Dilution Titration Technique" can't be applied.
The response curves recorded with this Calibration technique are
used together with Calibration technique "RC Sample with respon-
se curve" to determine Suppressor concentrations.

Note: A determined response curve file can only be adopted auto-

matically if the checkbox Save calibration curves additionally with-
out date and time on the General tab of the GENERAL SETTINGS
window is checked.

Determination tab with Calibration technique “RC Record

response curve”
The Determination tab of the EDIT WORKING METHOD PARAME-
TERS window contains general specifications for performing the
determination. The parameters displayed depend on the selected
Calibration technique and measurement Technique. With “RC Re-
cord response curve” following parameters have to be defined:

797 VA Computrace – Software 183

 6 Electroplating Bath VA

Sample identifier [ 32 characters ; "sample" ]

Identification for sample.
Note: The Sample identifier is used for the file na-
me. To make sure that for "Suppressor analysis
with 838 Advanced Sample Processor and RC" al-
ways the latest response curve file is taken for the
calculation, this Sample identifier must match with
the name of the calibration file defined for the pa-
rameter Response curve on the Determination tab
with calibration "RC Record response curve".
Example for Sample identifier:
Response Suppressor
Note: To make sure that for "Suppressor analysis
with 838 Advanced Sample Processor and RC" al-
ways the latest response curve file is taken for the
calculation, the path of the calibration file defined
for the parameter Response curve on the Sub-
stances tab with Calibration technique "RC Sample
with response curve”, must match with the path
defined for the parameter Data folder (for the cur-
rently logged-in user) on the tab User Directories
of the window USER RIGHTS.

Note: A determined response curve file is only

adopted automatically if the checkbox Save cali-
bration curves additionally without date and time
on the General tab of the GENERAL SETTINGS
window is checked.

Volume electrolyte (mL) [ > 0 mL ; 10 mL]

The volume of the Electrolyte Solution (see
Electrolyte solution, section 6.4).
Cell volume (mL) [ > 0 mL ; 10 mL ] [ read only ]
Total volume of solution (equal to the volume of
the Electrolyte solution) in the measuring vessel at
the start of the determination. The sample con-
centrations Conc. calculated refers to this cell vol-
ume.

Initial electrode conditioning (see Initial electrode conditioning,

section 6.3)
Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measure-
ments. The “total number of conditioning mea-
surements” is the No. of conditioning measu-
rements multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of con-
ditioning measurements” must not exceed 100.

184 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

or Auto Std.dev (%)[ >0.1 ; 1 ]

Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two “conditioning measu-
rements”.

Note: If you set a small value (e.g. < 1%), it can

take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

Addition mixing time [ 0...80600 s ; 10 s ]

Time of mixing after Additions (for the first measu-
rement, the Initial mixing time is used).
No. of additions [ 0...28 ; 2 ]
Number of additions of additive standard solution.
No. of replications [ 1...10 ; 2 ]
Number of replications (= total number of measu-
rements) for each variation (sample, standard ad-
dition, calibration level, conditioning measure-
ment). For cyclic modes (CV, CVS, CPVS) the “total
number of measurements” is the No. of repli-
cations multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of mea-
surements” must not exceed 10.

Voltammetric tab with Calibration technique “RC Record

response curve”
The Voltammetric tab of the EDIT WORKING METHOD PARAME-
TERS window contains parameters for preparation procedures and
VA measurement modes. With the Calibration technique "RC Re-
cord response curve" the Voltammetric parameters are not edit-
able. They depend on the parameters defined for recording the
calibration curve.
Following parameters have to be defined:

Initial mixing time (s) [ read only ] [ 0...80600 s ; 10 s ](see Initial

mixing time with CVS and CPVS, section 6.3)
Time of mixing before the first measurement of
the sample solution.
Conditioning Cycles [ read only ] (see Conditioning cycles with CVS
and CPVS, section 6.3)

797 VA Computrace – Software 185

 6 Electroplating Bath VA

Start potential (V) [ -5...+5 V ; 0.2 V ] [ read only ]

Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ] [ read only ]
Number of conditioning cycles.

Pretreatment (see Pretreatment with CVS and CPVS, section 6.3)

Cleaning potential (V) [ -5...+5 V ; 1.625 V ] [ read only ]
Voltage applied to the electrodes during the
Cleaning time.
Cleaning time (s) [ 0...80600 s ; 0 s ] [ read only ]
Time during which the Cleaning potential is appli-
ed to the electrodes.
Equilibration potential (V) [ -5...+5 V ; 1.625 V ] (This pa-
rameter is with CPVS part of the sweep)
Voltage applied to the electrodes during the
Equilibration time.
Equilibration time (s) [ 0...80600 s ; 5 s ] (This parameter is
with CPVS part of the sweep)
Waiting time before starting the sweep; with
Equilibration potential applied to the electrodes. If
the checkbox Hydrodynamic (measurement) is not
checked, the stirrer is switched off during that
time.
Sweep [ read only ]
The sweep parameters depend on the mode (see
CVS - Cyclic Voltammetric Stripping section 3.2,
and CPVS - Cyclic Pulse Voltammetric Stripping
section 3.2)

Substances tab with Calibration technique “RC Record response

curve”
The Substances tab of the EDIT WORKING METHOD PARAMETERS
window contains parameters for the definition and recognition of
substances, for the definition of standard solutions, for peak evalu-
ation and results calculation. The parameters displayed depend on
the Calibration technique selected in the WORKING METHOD SPE-
CIFICATIONS window. With “RC Record response curve” following
parameters have to be defined:
Substance [ 24 characters ; ]
Substance name. For the assignment of a found
peak to this substance the checkbox on the left
side of the substance name must be checked.
With CVS: Peak pos. +/- (V) [ -5...+5 V ; 0 V ]
Position of the peak voltage for the substance and
tolerance for this verification voltage.

186 797 VA Computrace – Software

 6.2 Calibration techniques with CVS and CPVS

With CPVS: Step potential [ read only ; step 1: 0.2 V ]

Displays the potential values, which are defined in
the window edit stripping steps.
Bsln.
Parameters for baseline evaluation (details see
Baseline, section 5.2). Click the button to open
the BASELINE window for the selected substance.
Suppressor standard solution
Definition of addition solutions for standard addi-
tion.
No. [ 0...8 ; 0 ]
Number of addition solution used for manual or
automatic addition. For automatic additions, this
number is also the Dosing Device number.

Achtung: Dosino 1..3 refer to Dosinos connected

to the 797 VA Computrace. Dosino 4...7 refer to
Dosinos connected to the 846 Dosing Interface (to
MSB 1...4).

Conc. [ > 0 ; 0 ]
Value for concentration of addition solution.
Unit [ fL/L...mL/L ; mL/L ]
Unit for concentration of addition solution.
Volume (mL) [ > 0.01 mL / var ; 0 mL ]
Addition volume. For entering variable addition
volumes, click the button to open the EDIT
VARIED ADDITION window for the selected sub-
stance (details see Variable addition, section 5.2).
In this case, var is entered into the field instead of
a fixed value. This field only appears once for solu-
tions with the same number (mixed standards)
and it is not displayed if 0 is entered as solution
number.

Regression technique [ see below ; Linear Regression ]

Selection of regression technique:
Linear Regression
The regression is calculated with a straight line.
Nonlinear Regression
The regression is calculated with a nonlinear
curve.
Linear Interpolation
The regression is calculated with a linear interpola-
tion through 2 points.
Quadratic Regression
The regression is calculated with a nonlinear
curve.

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 6 Electroplating Bath VA

Peak evaluation [ Height, Area, Derivative, Coulometric ; Coulomet-

ric ]
Selection of peak evaluation quantity:
Height
Peak height from baseline to peak maximum.
Area
Peak area between peak curve and calculated
baseline.
Derivative
Difference between positive an negative maximum
of the first derivative of the voltammogram.
Coulometric
Charge transmitted during the peak.
Smooth factor [ 1...6 ; 4 ]
Smoothing power of the Savitzky/Golay smooth-
ing of the baseline (1 = minimum smoothing, 6 =
maximum smoothing) (see Smoothing and differ-
entiation, section 5.8).
Eliminate spikes
Eliminates spikes to smooth the signal.
Reverse sweep [ on, off ; off ]
Enable peak evaluation of the reverse sweep of
cyclic sweeps (not available with CPVS).
Endpoint and evaluation criteria
Begin of evaluation Q/Q(0) [ 0…1 ; 1.0]
Only the measuring points between the „Begin of
evaluation“ and the „Evaluation ratio“ are used for
the calculation of the regression (linear, nonlinear
and quadratic).

6.3 Different settings and options with CVS and CPVS

• Deposition and Equilibration (see Pretreatment section 3.4, and
Pretreatment with CVS and CPVS section 6.3)
• “Initial mixing time” instead of “Initial purge time” in the volt-
ammetric settings (see Purging section 3.4, and Initial mixing
time with CVS and CPVS, section 6.3)
• Different Sweep parameters on the Voltammetric tab of the EDIT
WORKING METHOD PARAMETERS window (see CVS - Cyclic
Voltammetric Stripping section 3.2, and CPVS - Cyclic Pulse
Voltammetric Stripping, section 3.2)
• Different default values for conditioning cycles on the Voltam-
metric tab of the EDIT WORKING METHOD PARAMETERS win-
dow (see Conditioning cycles with CVS and CPVS, section 6.3)
• Different Calibration techniques are used (see Working method
specifications window section 5.2, and Calibration techniques
with CVS and CPVS section 6.2)

188 797 VA Computrace – Software

 6.3 Different settings and options with CVS and CPVS

• Determination parameters on the Determination tab of the EDIT

WORKING METHOD PARAMETERS window are different (see
Determination for other modes section 5.2, and check the pa-
rameters for the Calibration technique you are using Calibration
techniques with CVS and CPVS, section 6.2)
• Different Technique options (Batch with solution exchange is not
applicable with CVS and CPVS, see also Working method speci-
fications window section 5.2)
• With CVS and CPVS, the RDE/SSE electrodes are used (see CVS -
Cyclic Voltammetric Stripping section 3.2, and CPVS - Cyclic
Pulse Voltammetric Stripping, section 3.2)
• Substances parameters on the Substances tab of the EDIT WOR-
KING METHOD PARAMETERS window settings are different (see
Substances for other modes section 5.2, and under the Ca-
libration technique you are using Calibration techniques with
CVS and CPVS, section 6.2)
• Some result details are different (see
• Note: If both No. of conditioning measurements [ 1...100 ; 1 ]
and Auto Std.dev (%) [ >0.1 ; 1 ] are activated, the conditioning
is finished as soon as the first of the two criterias is reached.
Additional conditioning after sample transfer (only active with
MLAT and RC Sample with response curve , and if
Initial electrode conditioning is activated)
If this option is activated, an additional electrode
conditioning is started after sample addition. This
option can only be activated, if Initial electrode
conditioning is activated.
• Result details with CVS and CPVS section 6.3, and Results sec-
tion 5.5)

Pretreatment with CVS and CPVS

There is no deposition possible with CVS and CPVS. For the equi-
libration you can choose a specific Equilibration potential, which is
positive enough to prevent metal deposition on the electrode (with
the other modes, the Start potential is taken as Equilibration poten-
tial, See Pretreatment for other modes section 3.4).

Initial mixing time with CVS and CPVS

With CVS and CPVS, there is no “Initial purge time” (see Purging
section 3.4), since purging is not necessary (Reasons: solid state
electrode is less sensitive against oxygen interferences; measuring
at higher current; measuring in the positive voltage range). There is
an “Initial mixing time” instead.
In the exploratory mode, you can find this field in the EXPLORA-
TORY SPECIFICATION window. In the determination mode, you can

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 6 Electroplating Bath VA

find it on the Voltammetric tab of the EDIT WORKING METHOD

PARAMETERS window.

Conditioning cycles with CVS and CPVS

With CVS and CPVS the sweep is mainly in the positive voltage
area. Therefore, the default values are positive (compare to
Conditioning of solid state electrodes, section 3.4)

Start potential (V) [ -5...+5 V ; 0.2V ]

Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; 1.575 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.

Initial electrode conditioning

Working with a RDE/SSE electrode, additional conditioning is nee-
ded (see Conditioning of solid state electrodes, section 3.4). With
CVS and CPVS initial "conditioning measurements" which include
Conditioning cycles, Pretreatment and Sweep should be done. It
should be conditioned until the determination value is stable.

Initial electrode conditioning

Check the checkbox to use conditioning.
No. of conditioning measurements [ 1...100 ; 1 ]
Number of replications of conditioning measu-
rements. The “total number of conditioning mea-
surements” is the No. of conditioning measure-
ments multiplied with the number of Save last ..
sweeps (Voltammetric tab). “Total number of con-
ditioning measurements” must not exceed 100.
or Auto Std.dev (%)[ >0.1 ; 1 ]
Define until which „Std.dev.“ the conditioning is
continued. The „Std.dev.“ is calculated from all sa-
ved sweeps of the last two replications of the
“conditioning measurement”.
Note: If you set a small value (e.g. < 1%), it can
take a long time until reaching the target.

Note: If both No. of conditioning measurements [

1...100 ; 1 ] and Auto Std.dev (%) [ >0.1 ; 1 ] are
activated, the conditioning is finished as soon as
the first of the two criterias is reached.

190 797 VA Computrace – Software

 6.3 Different settings and options with CVS and CPVS

Additional conditioning after sample transfer (only active with

MLAT and RC Sample with response curve , and if
Initial electrode conditioning is activated)
If this option is activated, an additional electrode
conditioning is started after sample addition. This
option can only be activated, if Initial electrode
conditioning is activated.

Result details with CVS and CPVS

There is some additional information displayed in the RESULTS
window with CVS and CPVS (compare to Results with other modes
section 5.5):
Peak evaluation (see also Peak evaluation with other modes, sec-
tion 5.5)
Q.Mean
Mean value of the evaluation charge for all repli-
cations of a variation.
Q.delta
Difference of two successive mean values of the
evaluation charge.
V (mL)
Volume added.
Q/Q(0)
Normalized evaluation charge.

Calibration data (see also Calibration data with other modes, sec-
tion 5.5)
Calibr.
Calibration techniques dt.rec.cc., dt.cc, mlat, lat,
rec.rc, smp.rc (see Calibration techniques with
CVS and CPVS, section 6.2)
Sample data (see also Sample data with other modes, section 5.5)
Intercept value
Measured value of the "Intercept solution" (see
Calibration techniques with CVS and CPVS, sec-
tion 6.2)
Substance evaluation (see also Substance evaluation with other
modes, section 5.5)
Volume
With Calibration technique “DT Record calibration
curve”: Volume of added Suppressor standard so-
lution at the “Evaluation ratio”.
With Calibration technique “DT Suppressors with
calibration curve”: Volume of added Production
bath solution at the “Evaluation ratio”.

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 6 Electroplating Bath VA

V.dev
With Calibration technique “DT Record calibration
curve”: Deviation of the volume of added Supp-
ressor standard solution at the “Evaluation ratio”.
With Calibration technique “DT Suppressors with
calibration curve”: Deviation of the volume of ad-
ded Production bath solution at the “Evaluation
ratio”.
Cal. factor (#L/L)
”Calibration factor” used for the determination of
Suppressor in the plating bath (displayed with Ca-
libration techniques “DT Record calibration curve”
and “DT Suppressors with calibration curve”).

Final Results (see also Final results, section 5.5)

Calibration factor
”Calibration factor” used for the determination of
Suppressor in the plating bath (displayed with Ca-
libration techniques “DT Record calibration curve”
and “DT Suppressors with calibration curve”).
Intercept value
”Intercept value” used for the determination of
Brightener in the plating bath (displayed with Cali-
bration technique “LAT Record intercept value”).
Contamination current
The Contamination potential correlates with the
concentration of organic degradation products in
the electroplating bath.
Chloride current
The Chloride potential correlates with the concen-
tration of chloride in the electroplating bath.

6.4 Some Definitions used with CVS and CPVS

Some definitions used for working with the Calibration techniques
used with the modes CVS and CPVS:
• VMS (Virgin Make-up Solution)
• Intercept solution
• Intercept value
• Production bath solution
• Addition ratio
• Evaluation ratio
• Begin of evaluation
• Contamination potential

192 797 VA Computrace – Software

 6.4 Some Definitions used with CVS and CPVS

• Chloride potential
• Calibration factor
• Suppressor
• Brightener
• Electrolyte solution

VMS (Virgin Make-up Solution)

The VMS (Virgin Make-up Solution) is an electroplating bath solu-
tion like the one, which is analyzed. But it contains no organic ad-
ditives and it is made from reagent grade chemicals.

Note: The VMS solution should always be adjusted to the bath so-
lution as exactly as possible.

It is used in the Electroplating Bath analysis with the modes CVS

and CPVS and the Calibration techniques “Standard addition plat-
ing bath”, “DT Record calibration curve” and “DT Suppressors with
calibration curve”.

Note: If you dilute Brightener- or Suppressor standard solution: Al-

ways take VMS solution, never water!

Intercept solution
The “Intercept solution” is VMS(Virgin Make-up Solution) + Sup-
pressor. It is used in the Electroplating Bath analysis with the mo-
des CVS and CPVS and the Calibration techniques “MLAT Standard
addition for brighteners” and “LAT Record intercept value”.

Note: The "Intercept solution" should always be adjusted to the

bath solution as exactly as possible.

Intercept value
The “Intercept value” is the charge generated by the “Intercept so-
lution” during the stripping process in the Electroplating Bath
analysis with the modes CVS and CPVS. It is used with the Calibra-
tion technique “LAT Standard addition for brighteners” and should
be redetermined regularly. It can be recorded with the Calibration
technique "LAT Record intercept value".

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 6 Electroplating Bath VA

Production bath solution

The “Production bath solution” (or “Plating bath solution”) is the
sample solution to be analyzed. It is used in the Electroplating Bath
analysis with the modes CVS and CPVS.

Addition ratio
The “Addition ratio” is a certain Q/Q(0) ratio which defines the
number of additions with the two “dilution titration technique” Ca-
libration techniques “DT Record calibration curve” and “DT Supp-
ressors with calibration curve” (with the modes CVS and CPVS). It
should normally be around 0.3 and can be defined on the Substan-
ces tab of the EDIT WORKING METHOD PARAMETERS window.
The “Addition ratio” defines the criteria for the endpoint. After
reaching this point, the standard addition is stopped and the “Cali-
bration factor” is calculated.
Note: The following condition must be fulfilled: „Begin of evalua-
tion“ > “Evaluation ratio” > „Addition ratio“.

Evaluation ratio
The “Evaluation ratio” is a certain Q/Q(0) ratio and defines the
point of evaluation for the calculation of the “Calibration factor” Z.
It is used with the two "dilution titration technique" Calibration
techniques “DT Record calibration curve” and “DT Suppressors with
calibration curve” (with the modes CVS and CPVS). It should nor-
mally be around 0.5 and can be defined on the Substances tab of
the EDIT WORKING METHOD PARAMETERS window.
For the regression, all measurement points between 1 and the
measurement point after the evaluation ratio are used.

Note: The following condition must be fulfilled: „Begin of evalua-

tion“ > “Evaluation ratio” > „Addition ratio“.

Begin of evaluation
Only the measuring points between the „Begin of evaluation“ and
the „Evaluation ratio“ are used for the calculation of the regression
(linear, nonlinear and quadratic). It is used with the Calibration
techniques DT Record calibration curve, DT Suppressors with cali-
bration curve , RC Sample with response curve and RC Record re-
sponse curve (with the modi CVS and CPVS). It should normally be
around 1.0 and can be defined on the Substances tab of the EDIT
WORKING METHOD PARAMETERS window.

Note: The following condition must be fulfilled: „Begin of evalua-

tion“ > “Evaluation ratio” > „Addition ratio“.

194 797 VA Computrace – Software

 6.4 Some Definitions used with CVS and CPVS

Contamination potential
The Contamination potential correlates with the concentration of
organic degradation products in the electroplating bath. It is used
with the Calibration techniques LAT Standard addition for bright-
eners and MLAT Standard addition for brighteners (with the modi
CVS and CPVS).

Chloride potential
The Chloride potential correlates with the concentration of chloride
in the electroplating bath. It is used with the Calibration techniques
LAT Standard addition for brighteners and MLAT Standard addition
for brighteners (with the modi CVS and CPVS).

Calibration factor Z
The “Calibration factor” Z is determined with the Calibration tech-
nique “DT Record calibration curve”.
It is used for the Suppressor determination with the Calibration
technique “DT Suppressors with calibration curve”.
It is calculated from the following equation:

VStd ∗ c Std
Z=
VVMS + VStd

VStd
Is the volume of Suppressor standard solution at the
“Evaluation ratio”.

c Std
Is the concentration of Suppressor standard solution.

VVMS
Is the volume of VMS (Virgin Make-up Solution).

Z is equal to the Suppressor concentration in the measurement cell

at the “Evaluation ratio”.

Suppressor
Any of various components of electroplating bath solutions that
suppresses plating.

Brightener
Any of various components of electroplating bath solutions that in-
creases the deposition during plating.

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 6 Electroplating Bath VA

Electrolyte solution
The Electrolyte solution is a mixture of VMS and these additives,
which are not to be determined (with "Response Curve Techni-
que").

196 797 VA Computrace – Software

 7.1 Computrace control

7 Manual control

7.1 Computrace control

Computrace control selection

MAIN WINDOW / Utility / Computrace control

Start manual control of the 797 VA Computrace
stand.

Computrace control window

The COMPUTRACE CONTROL window serves for manual control of
the 797 VA Computrace stand.

10 mA ... 10 nA
Selection of current range for measurement in the
manual control mode.
I ovl Indication of current overload by red light.

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 7 Manual control

Switch on/off current measurement. If switched

on, the set Potential is applied to the electrodes
and the current is measured continuously. This
mode is indicated by the red light beside the
<Cell> button.
Potential (V) [ -5...+5 V ; 0 V ]
Voltage to be applied to the electrodes.
Potential (V) [ read only ]
Display of current voltage applied to the electro-
des.
Current (xA) [ read only ]
Display of measured current.
No electrode No electrode connected to the 797 VA Compu-
trace stand. This setting is useful for changing the
electrode at the stand.
DME Selection of the Dropping Mercury Electrode
(DME).
SMDE Selection of the Static Mercury Drop Electrode
(SMDE).
HMDE Selection of the Hanging Mercury Drop Electrode
(HMDE).
RDE/SSE Selection of the Rotating Disk electrode (RDE).

Switch on/off inert gas purging.

Tests the electrodes (see Check the MME, section

8.10).
Note: Occasional electrode tests should be done
in this sector and not with the “GLP Wizard” (not
to overwrite GLP data).

Switch on/off stirrer/RDE with the set RDE/Stirrer

speed.
RDE/Stirrer speed (rpm) [ 0...3000 rpm ; 2000 rpm ]
Revolutions per minute of the stirrer/RDE.

DME: Switch on free dropping at the MME.

SMDE: Dropping in intervals of ca. 1 s at the
MME.
HMDE: Formation of a new single mercury drop
at the MME .
Drop size [ 1...9 ; 4 ]
Size of the mercury drop (surface 0.15 mm2 ...
0.60 mm2).

198 797 VA Computrace – Software

 7.2 Dosing Device control

7.2 Dosing Device control

Dosing Device control selection

MAIN WINDOW / Utility / Dosino control

Start manual control of the Dosing Devices (possi-
ble: 700/800 Dosino , 685/805 Dosimat) con-
nected to the 797 VA Computrace stand or the
846 Dosing Interface.

Dosino control window

The DOSINO CONTROL window serves for manual control of the
Dosing Devices connected to the 797 VA Computrace stand (under
Dosing Processor) or the 846 Dosing Interface (under Dosing Inter-
face).

Dosino 1..7 (x mL)

3 Dosing Devices can be connected to the 797 VA
Computrace stand, 4 more to a 846 Dosing In-
terface. Each can be controlled individually.
Status [ read only ]
Display of the current Dosing Device status.
Total dosed volume (mL) [ > 0.01 mL ; 0 mL ]
Display of current volume dispensed since last fil-
ling (first value) and accumulated volume if the
display is not reset after filling (value in brackets).

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 7 Manual control

Dosed volume (mL)

Dose the set volume.

Switch on dosing by Dosing Device. The solution is

dispensed until the <Dose off> button is pressed
or the Dose volume (mL) is reached.

The burette cylinder of the Dosing Device is filled.

Fills burette cylinder and tubes. Used to remove air

bubbles, solution exchange and cleaning.

Used to empty the Dosino (not feasible with Do-

simats).

7.3 Pump control

Pump control selection

MAIN WINDOW / Utility / Pump deposition

Start manual control of the 772 Pumps Units
(or 823 Membrane Pump Units) connected to
the 797 VA Computrace stand.

Pump control window

The PUMP CONTROL window serves for manual control of the
Pumps connected to the 797 VA Computrace stand.

Siphoning pump on (s)

Siphon for so many seconds. Start with clicking
, stop by clicking .

200 797 VA Computrace – Software

 7.4 Film deposition

Rinsing pump on (s)

Rinse for so many seconds. Start with clicking
, stop by clicking .
Number of rinsing cycles
Number of rinsing/siphoning cycles (after activat-
ing Rinse cell system). A cycle is siphoning and rin-
sing once. Length of siphoning and rinsing are de-
fined in Siphoning pump on (s) and Rinsing pump
on (s).
Rinse cell system
Siphon and rinse the cell system. Define settings in
Number of rinsing cycles, Siphoning pump on (s)
and Rinsing pump on (s). Start with clicking
, stop with clicking .
Status
Displays current status of the pumps.

Rinsing/Siphoning - settings of the GENERAL SET-

TINGS/Automation tab (see Automation, section
2.7) are adopted to the PUMP CONTROL window.

7.4 Film deposition

Film deposition selection

MAIN WINDOW / Utility / Film deposition
Start Hg deposition for solid state electrodes in the
797 VA Computrace stand.

Film deposition window

The FILM DEPOSITION window serves for deposition of a mercury
or metal film on solid state electrodes at the 797 VA Computrace
stand.

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 7 Manual control

Plating solution [ 48 characters ; ]

Name of electrolyte solution used for film deposition.
Stirrer/RDE (rpm) [ 0...3000 rpm ; 2000 rpm ]
Revolutions per minute of the rotating disk electrode. The
stirring of the RDE remains active during all preparation pro-
cedure steps until the start of the cleaning sweep.
Purge time (s) [ 0...80600 s ; 300 s ]
Time of inert gas purging before the first measurement of the
sample solution.
Conditioning cycles
Before deposition, the solid state electrode can be electro-
chemically regenerated by a freely selectable number of con-
ditioning cycles. For every cycle, the voltage is changed at a
sweep rate of 1 V/s to the End potential and then decreased
at the same rate back to the Start potential.
Start potential (V) [ -5...+5 V ; -1.2 V ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.
Deposition potential (V) [ -5...+5 V ; -0.8 V ]
Voltage applied to the electrodes during the Deposition time.
Deposition time (s) [ 0...80600 s ; 10 s ]
Time during which the Deposition potential is applied to the
electrodes.
Cleaning potential (V) [ -5...+5 V ; -0.05 V ]
Voltage applied to the electrodes during the Cleaning time.
Cleaning time (s) [ 0...80600 s ; 10 s ]
Time during which the Cleaning potential is applied to the
electrodes.

202 797 VA Computrace – Software

 7.5 Cleaning procedure

Sweep
Parameters of DP sweep used at the end of the film deposi-
tion for checking the electrode (see VA measurement modes,
section 3.2).
Cell off after measurement [ on, off ; on ]
Enable/disable the switching off of the voltage applied to the
electrodes after measurement.
Stand-by potential (V) [ -5...+5 V ; -0.1 V ]
Voltage to be applied to the electrodes after measurement if
the Cell off after measurement box is set to off.

7.5 Cleaning procedure

Cleaning procedure selection

MAIN WINDOW / Utility / Cleaning procedure
Start cleaning procedure for solid state electrodes
at the 797 VA Computrace stand.

Cleaning procedure window

The CLEANING PROCEDURE window serves for electrochemical
cleaning of solid state electrodes at the 797 VA Computrace stand.

Cleaning solution [ 48 characters ; ]

Name of cleaning solution used for electrochemical cleaning
of solid state electrodes.
Stirrer/RDE (rpm) [ 0...3000 rpm ; 2000 rpm ]
Revolutions per minute of the rotating disk electrode. The
stirring of the RDE remains active during all preparation pro-
cedure steps until the start of the cleaning sweep.

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 7 Manual control

Purge time (s) [ 0...80600 s ; 300 s ]

Time of inert gas purging before the first measurement of the
sample solution.
Conditioning cycles
Electrochemical regeneration of the solid state electrode by a
freely selectable number of conditioning cycles. For every cy-
cle, the voltage is changed at a sweep rate of 1 V/s to the End
potential and then decreased at the same rate back to the
Start potential.
Start potential (V) [ -5...+5 V ; -1.2 V ]
Start voltage for the cyclic conditioning sweep.
End potential (V) [ -5...+5 V ; -0.1 V ]
Final voltage for the cyclic conditioning sweep.
No. of cycles [ 0...X ; 0 ]
Number of conditioning cycles.
Cleaning potential (V) [ -5...+5 V ; -0.8 V ]
Voltage applied to the electrodes during the Cleaning time.
Cleaning time (s) [ 0...80600 s ; 10 s ]
Time during which the Cleaning potential is applied to the
electrodes.
Sweep
Parameters of DP sweep used at the end of the cleaning cyc-
les for checking the electrode (see VA measurement modes,
section 3.2).
No. of repetition cycles [ 0...X ; 5 ]
Number of repetition cycles for applying the conditioning cyc-
les and cleaning potential steps.
Cell off after measurement [ on, off ; on ]
Enable/disable the switching off of the voltage applied to the
electrodes after measurement.
Stand-by potential (V) [ -5...+5 V ; -0.1 V ]
Voltage to be applied to the electrodes after measurement if
the Cell off after measurement box is set to off.

204 797 VA Computrace – Software

 8.1 Installation and program start

8 How to ...?
8.1 Installation and program start

Install Dosing Devices for automatic addition

1. Connect Dosing Devices (possible: 700/800 Dosino , 685/805
Dosimat) to the 797 VA Computrace stand or the 846 Dosing
Interface (see Installation of Dosing Devices, section 1.3).
2. Make hardware settings for Dosing Devices.
3. Select Automatic for Addition in the WORKING METHOD SPECI-
FICATIONS window.
4. Define the addition or predose solution in the DOSINOS win-
dow (see Dosing Devices, section 5.2).
5. The number defined in the No. field of the Substances tab of
the EDIT WORKING METHOD PARAMETERS window should
correspond with the number of the Dosing Device used for the
addition of this substance.

Switch on the instruments and start program

1. Switch on PC.
2. Connect Dosing Devices ( see Installation of Dosing Devices,
section 1.3), Sample Changer (see Installation of 863 Compact
VA Autosampler section 1.3, or Installation of 838 Advanced
Sample Processor section 1.3) and the 843 Pump Station to the
797 VA Computrace stand.
3. Connect the 797 VA Computrace stand to the PC (via USB).
4. Switch on 797 VA Computrace stand, Sample Changer and 731
Relay Box.
5. Start 797 VA Computrace Software 1.3.x (see Starting the VA
Computrace program, section 2.2).
6. Enter Name and Password in the VA COMPUTRACE LOGIN win-
dow (see Login, section 2.6).
7. Select exploratory or determination mode (see Mode menu,
section 2.4).
8. Open the desired Exploratory mode windows (Exploratory
specifications, Exploratory curves) or Determination mode win-
dows (Working method specifications, Monitor, Determination
curves, Results, Sample table).

797 VA Computrace – Software 205

 8 How to ...?

Note: If you switch off the instruments, switch off the 731 Relay
Box first.

8.2 User rights

Define a new user

1. Open the USER RIGHTS window by clicking on MAIN WINDOW
/ User / User rights.

2. Click the button to open the ADD NEW USER

window.
3. Enter the Name and Password of the new user.
4. Close the ADD NEW USER window by clicking <OK>.
5. Select the new user in the list of all users and set his user rights
(see User rights, section 2.6).
6. Close the USER RIGHTS window by clicking <OK>.

Change user rights

1. Open the USER RIGHTS window by clicking on MAIN WINDOW
/ User / User rights.
2. In the User rights tab, select the desired user in the list of all
users and change his user rights (see User rights, section 2.6).
3. In the User directories tab you can define where data and
methods are saved for each specific user.
4. Close the USER RIGHTS window by clicking <OK>.

8.3 Signals in exploratory mode

Load a signal curve

1. Click on or MAIN WINDOW / Mode / Exploratory.

2. Click on or EXPLORATORY SPECIFICATION / File / Load

signal.
3. Select one or several (Ctrl + Click) signal files *.sig in the OPEN
window and click <OK>.

Note: As soon as a signal curve is measured or loaded, the volt-

ammetric parameter get read only. Should the parameters be
changed before measuring a new signal curve, the button
needs to be clicked.

206 797 VA Computrace – Software

 8.3 Signals in exploratory mode

Save a signal curve

1. Select the desired signal curve in the list of the EXPLORATORY
SPECIFICATIONS window.

2. Click on or EXPLORATORY SPECIFICATION / File / Save sig-

nal.
3. Select the desired directory and enter the signal file name *.sig
in the SAVE AS window and click the <Save> button. Please
note that a user specific data directory can be defined in the
User Directories tab.

Save signal curves automatically

1. Click on MAIN WINDOW / Settings / General settings and enable
the Auto save determination and signal option in the General
tab.
2. Click on MAIN WINDOW / User / User rights and choose the
Data folder in the User directories tab (see User rights, section
2.6), where you want to store your signals. You can search
your working space by clicking Browse.

Record a signal curve

1. Click on or MAIN WINDOW / Mode / Exploratory.

2. Select Electrode and Drop size (for SMDE and HMDE) in the EX-
PLORATORY SPECIFICATION window (see Electrodes, section
3.1).
3. Set Stirrer or RDE speed (see Stirring, section 3.4).

4. If necessary, click and limit the Highest current

range or Lowest current range in the POTENTIOSTAT window
(see Potentiostat, section 3.3).
5. Select the desired VA measurement mode in the Mode field
(see VA measurement modes, section 3.2).
6. Set the Initial purge time (see Purging, section 3.4).
7. Set pretreatment parameters for electrodes (see Pretreatment,
section 3.4).
8. Set Sweep parameters of the selected VA measurement mode
(see VA measurement modes, section 3.2).
9. If desired, set Stand-by potential to be applied after measure-
ment (see Stand-by potential, section 3.4).
10. If the recorded signal file should be automatically saved at the
end of the measurement, click on MAIN WINDOW / Settings /
General settings and enable the Auto save determination and
signal option in the General tab.

797 VA Computrace – Software 207

 8 How to ...?

11. Start the measurement by clicking the icon or the

button (see Performing exploratory measurements,
section 4.2).

Note: As soon as a signal curve is measured or loaded, the volt-

ammetric parameter get read only. Should the parameters be
changed before measuring a new signal curve, the button
needs to be clicked.

Evaluate signal peaks automatically

1. Select the desired signal file in the Signal field of the EXPLORA-
TORY CURVES window. The selected signal curve is shown with
the Selected signal properties.
2. Click on EXPLORATORY CURVES / Signal / Peak search. The
PEAK SEARCH window is opened.
3. Set the parameters Reverse peak, Reverse sweep (for CV and
CVS only), Minimum peak width, Smooth factor, Minimum peak
height and Scope for peak evaluation (see Peak search, section
4.3).

4. Click the button. The calculated baselines and

peak maximum positions are displayed in the EXPLORATORY
CURVES window. The evaluation results are displayed in the ta-
ble of results in the PEAK SEARCH window.
5. If no peaks are found, try to modify the peak search parame-
ters Minimum peak width, Smooth factor, and Minimum peak
height for the automatic signal peak evaluation or switch to the
manual signal peak evaluation.

Evaluate signal peaks manually

1. Select the desired signal file in the Signal field of the EXPLORA-
TORY SPECIFICATION window. The selected signal curve is
shown with the Selected signal properties.
2. Click on EXPLORATORY CURVES / Signal / Peak search. The
PEAK SEARCH window is opened.
3. Check the Manual option.
4. Set the parameters Reverse peak, Reverse sweep (for CV and
CVS only), Minimum peak width, Smooth factor, and Minimum
peak height for peak evaluation (see Peak search, section 4.3).
5. Set the start and end base points for baseline evaluation by
clicking the buttons of the Begin or End field.
6. Select Type and Scope of the baseline.

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 8.4 Methods in determination mode

7. Click the button. The calculated baselines and

peak maximum positions are displayed in the EXPLORATORY
CURVES window. The evaluation results are displayed in the ta-
ble of results in the PEAK SEARCH window.

Evaluate signal waves

1. Select the desired signal file in the Signal field of the EXPLORA-
TORY SPECIFICATION window. The selected signal curve is
shown with the Selected signal properties.
2. Click on EXPLORATORY CURVES / Signal / Wave evaluation. The
WAVE EVALUATION window is opened.
3. Set the parameters Minimum width, Minimum peak height and
Smooth factor for wave evaluation (see Wave evaluation, sec-
tion 4.3).

4. Click the button. The calculated tangents and po-

sitions of half-wave potentials are displayed in the EXPLORA-
TORY CURVES window. The evaluation results are displayed in
the table of results in the WAVE EVALUATION window.

Print signal curves and/or voltammetric parameters

1. Click on or MAIN WINDOW / File / Print. The PRINT EX-

PLORATORY window is opened.
2. Check the Print curves option if the content of the EXPLORA-
TORY CURVES window should be printed.
3. Check the Print voltammetric parameters option if the parame-
ters in the EXPLORATORY SPECIFICATION window should be
printed.
4. Click the <OK> button.
5. Select the parameters and properties for printing in the PRIN-
TER SETUP window and click the <OK> button.

8.4 Methods in determination mode

Load a method

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / File / Load method.

3. Select the desired method file *.mth in the OPEN window and
click <OK>. The method is loaded into the WORKING METHOD
SPECIFICATIONS window.

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 8 How to ...?

Copy parameters from determination methods

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / File / Load determination.

3. Select the desired determination file *.dth in the OPEN window
and click <OK>. The determination is loaded into the DETERMI-
NATION CURVES window.
4. Click on DETERMINATION CURVES / Edit / Copy parameters to
working method.

Copy parameters from signal files

1. Click on or MAIN WINDOW / Mode / Exploratory.

2. Click on or EXPLORATORY SPECIFICATION / File / Load

signal.
3. Select the desired signal file *.sig in the OPEN window and click
<OK>.
4. Click on EXPLORATORY SPECIFICATION / Transfer / Parameters
/ To working method.

Save the working method

1. If you want to save a modified working method under the
same name, click on or MAIN WINDOW / File / Save
method. The old file will be overwritten.
2. If you want to save the working method under a new name,
click on MAIN WINDOW / File / Save method as. Select the de-
sired directory, enter the method file name *.mth in the SAVE
AS window, and click the <Save> button.

Edit the working method

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.

3. Click on or MAIN WINDOW / File / Load method.

4. Select the desired method file *.mth in the OPEN window and
click <OK>. The method is loaded into the WORKING METHOD
SPECIFICATIONS window.
5. Set the parameters in the WORKING METHOD SPECIFICATIONS
window to the desired values (see Working method specifica-
tions window, section 5.2).

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 8.5 Determinations with voltammetric trace analysis

6. If Dosing Devices should be used for addition or predose, click

and set the parameters to the desired values (see
Dosing Devices, section 5.2).

7. If necessary, click and limit the Highest current

range or Lowest current range in the POTENTIOSTAT window
(see Potentiostat, section 3.3).

8. Click and set the parameters on the tabs Deter-

mination, Voltammetric, Substances, Calculations, Documenta-
tion und Export (see section 5.2) in the EDIT WORKING
METHOD PARAMETERS window.
9. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.

Modify methods for automatic background compensation

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.

3. Click on or MAIN WINDOW / File / Load method.

4. Select the desired method file *.mth in the OPEN window and
click <OK>. The method is loaded into the WORKING METHOD
SPECIFICATIONS window.

5. Click the button in the WORKING METHOD SPE-

CIFICATIONS window and select the Determination tab.
6. Enable the Measure blank option, enter the number of measu-
rements No. of blanks and the Blank purge time.
7. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
If you start a determination with this modified method, you are first
asked to place the specified number of blank solutions into the
measuring vessel. The resulting blank curve is then automatically
subtracted from all subsequent measured curves.

8.5 Determinations with voltammetric trace analysis

Load a determination

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / File / Load determination.

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 8 How to ...?

3. Select the desired determination file *.dth in the OPEN window

and click <OK>. The determination is loaded into the DETER-
MINATION CURVES window.
4. If the method parameters of the loaded determination should
be used for a new measurement, copy the determination met-
hod parameters to the working method by clicking on DETER-
MINATION CURVES / Edit / Copy parameters to working
method.

Save a determination
1. If you want to save the loaded and modified determination un-
der the same name, click on or MAIN WINDOW / File /
Save determination. The old file will be overwritten.
2. If you want to save the loaded determination under a new na-
me, click on MAIN WINDOW / File / Save determination as. Se-
lect the desired directory, enter the determination file name
*.dth in the SAVE AS window, and click the <Save> button.

Automatically save determinations

1. Click on MAIN WINDOW / Setting / General settings and enable
the Auto save determination and signal option in the General
tab.
2. Click on MAIN WINDOW / User / User rights and choose the
Data folder in the User directories tab (see User rights, section
2.6), where you want to store your determinations. You can
search your working space by clicking Browse.

Perform a determination

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. If desired, modify the loaded method (see How to Edit the
working method, section 8.4).
5. Place the analysis solution in the measuring vessel at the 797
VA Computrace stand.

6. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

7. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.

212 797 VA Computrace – Software

 8.5 Determinations with voltammetric trace analysis

8. Follow the instructions in the appearing message windows.

Perform a test determination with the Pb test method

With the aid of this example method for the determination of lead
in the ion standard solution supplied using the DME, you can easily
check whether the 797 VA Computrace System is functioning
properly.

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.

3. Click on or MAIN WINDOW / File / Load method.

4. Select the method file Test Pb in standard solution.mth in the
OPEN window and click <OK>. The method is loaded into the
WORKING METHOD SPECIFICATIONS window.
5. Add 20 mL ultrapure water to the empty measuring vessel at
the 797 VA Computrace stand.
6. Add 0.5 mL potassium chloride c(KCl) = 3 mol/L (Metrohm No.
6.2308.020) to the measuring vessel.

7. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

8. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow. The PLACE SAMPLE window appears.
9. Use a pipette to add 100 μL Pb ion standard solution β(Pb) = 1
g/L (Metrohm No. 6.2301.100) into the measuring vessel and
click the <OK> button.
10. The sample solution is measured three times. Then the MAN-
UAL ADDITION window appears.

11. Use a pipette to add 100 μL Pb ion standard solution β(Pb) = 1

g/L (Metrohm No. 6.2301.100) into the measuring vessel and
click the <OK> button.
12. The sample solution spiked with standard addition solution is
measured three times. Then the MANUAL ADDITION window
appears.
13. Use a pipette to add 100 μL Pb ion standard solution β(Pb) = 1
g/L (Metrohm No. 6.2301.100) into the measuring vessel and
click the <OK> button.
14. The sample solution spiked again with standard addition solu-
tion is measured three times. Then the END OF DETERMINA-
TION window appears.

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 8 How to ...?

15. Click the <OK> button. The determination is saved automati-

cally if specified on the General tab of the GENERAL SETTINGS
window and the result report is printed if specified on the Do-
cumentation tab of the EDIT WORKING METHOD PARAMETERS
window.

Perform determinations using the 863 Compact VA Autosampler

1. Install the 863 Compact VA Autosampler (see Installation of
863 Compact VA Autosampler, section 1.3) and set method
2.
2. Click on MAIN WINDOW / Settings / General settings and select
the Hardware tab.
3. Define the Sample processor field of the Hardware tab.
4. Modify the parameters for Automation in the Automation tab
of the GENERAL SETTINGS window as desired.
5. If desired, test the automation parameters: Click on MAIN WIN-
DOW / Settings / General settings and select the Automation
tab. Fill two sample vessels with water and place them on the
sample rack. Click on , check the automation pa-
rameters and modify them if needed.

6. Click on or MAIN WINDOW / Mode / Determination.

7. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
8. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
9. If desired, modify and save the loaded method (see How to
Edit the working method, section 8.4).

10. Click on or MAIN WINDOW / Window / Sample table to

open the SAMPLE TABLE window.
11. Load the desired sample table or edit the current sample table
(see Sample table, section 5.6).
12. Transfer the desired sample amount into the sample vessels.
Place the sample vessels at the odd positions on the sample
rack of the 863 Compact VA Autosampler. For each sample
vessel, place a vessel filled with rinsing solution at the follow-
ing even position (volume rinsing solution = volume sample so-
lution).

13. Click on or MAIN WINDOW / Window / Monitor to open the

MONITOR window.

14. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING window.

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 8.5 Determinations with voltammetric trace analysis

15. Follow the instructions in the appearing message windows.

Note: If you want to measure all samples with the same working
method, you can select Repeat current method for Working
method source on the Automation tab of the GENERAL SETTINGS
window. The SAMPLE TABLE window is not accessible with Repeat
current method.

Perform VA determinations using the 838 Advanced Sample Processor

1. Install the 838 Advanced Sample Processor (see Installation of
838 Advanced Sample Processor section 1.3) and set a suitable
method (depending on the determination, see section 8.5
"Perform VA determinations using the 838 Advanced Sample
Processor", section 8.6 "Brightener Analysis with 838 Ad-
vanced Sample Processor and "MLAT", section 8.6 "Brightener
Analysis with 838 Advanced Sample Processor and "LAT", sec-
tion 8.6 "Suppressor Analysis with 838 Advanced Sample Proc-
essor and DT", section 8.6 "Suppressor Analysis with 838 Ad-
vanced Sample Processor and RC").
2. Click on MAIN WINDOW / Settings / General settings and select
the Hardware tab.
3. Define the Sample processor field of the Hardware tab.
4. Modify the parameters for Automation in the Automation tab
of the GENERAL SETTINGS window as desired.
5. If desired, test the automation parameters: Click on MAIN WIN-
DOW / Settings / General settings and select the Automation
tab. Fill two sample vessels with water and place them on the
sample rack. Click on , check the automation para-
meters and modify them if needed.

6. Click on or MAIN WINDOW / Mode / Determination.

7. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
8. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
9. If desired, modify and save the loaded method (see How to
Edit the working method, section 8.4).

10. Click on or MAIN WINDOW / Window / Sample table to

open the SAMPLE TABLE window.
11. Load the desired sample table or edit the current sample table
(see Sample table, section 5.6).
12. Transfer the desired sample amount into the sample vessels.
Place the sample vessels sequential on the sample rack of the

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 8 How to ...?

838 Advanced Sample Processor. You can use 50 mL sample

vessels (on the two outer rings) or 11 mL sample vessels (on
the two inner rings). Place the sample on the outer (e.g. posi-
tion 1) of the two rings and the rinsing solution on the inner
(e.g. position 29) of the two rings. Define the position of the
first sample vessel for the 838 parameter "SAMPLE" with the
838 keypad.

13. Click on or MAIN WINDOW / Window / Monitor to open the

MONITOR window.

14. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING window.
15. Follow the instructions in the appearing message windows.

Note: If you want to measure all samples with the same working
method, you can select Repeat current method for Working met-
hod source on the Automation tab of the GENERAL SETTINGS win-
dow. The SAMPLE TABLE window is not accessible with Repeat
current method.

838 method for trace analysis

For automated trace analysis with the 838 Advanced Sample
Processor it is recommended to set the method VA at the sample
changer.
The method VA has the following sequence:
VA
parameters
method VA
number of samples rack > Number of samples to be
processed (entire sample
rack)

>start sequence
1 CTL:Rm: INIT > Initialize Remote lines
2 Move 1 : sample > First Sample on Pos. "SAM-
PLE"
3 CTL:Rm: ************1 > Remote start CT797
4 CTL:Rm: ************0

>sample sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : sample > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 PERISTALT: 300 s 10 > Sample transfer
5 CTL:Rm: ************1 > Set line: sample transfer
ready
6 CTL:Rm: ************0

216 797 VA Computrace – Software

 8.5 Determinations with voltammetric trace analysis

7 MOVE 1 : +28 > Move needle to rinsing posi-

tion
8 LIFT: 1 work mm > Place needle at working posi-
tion
9 PERISTALT: 5 s 10 > Suck rinsing solution in the
needle
10 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
11 PERISTALT: 300 s 10 > Rinse needle
12 CTL:Rm: ************1 > Set line: needle cleaning
ready
13 CTL:Rm: ************0

Before starting, define the position of the first sample vessel for the
838 parameter "SAMPLE" with the 838 keypad.

Recalculate an existing determination

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / File / Load determination.

3. Select the desired determination file *.dth in the OPEN window
and click <OK>. The determination is loaded into the DETER-
MINATION CURVES window.

4. Click on or MAIN WINDOW / Window / Results to open the

RESULTS window.

5. Click on or MAIN WINDOW / Window / Determination

curves to open the DETERMINATION CURVES window.
6. Arrange the subwindows in the DETERMINATION CURVES win-
dow so that the list of curves, the determination curves and the
calibration curves are visible.
7. If desired, select one or several (Ctrl + Click) objects in the list of
curves and click on or Show selected... of the context sen-
sitive menu to show only the selected determination curve(s).
8. If desired, zoom the interesting area in the determination
curves subwindow.

9. Click on or DETERMINATION CURVES / Edit / Determina-

tion method parameters to open the EDIT DETERMINATION
METHOD PARAMETERS window.
10. Modify the parameters (e.g. Sample amount, Cell volume, Peak
position, baseline parameters, standard solution concentra-
tions, calculation parameters) to the desired values on the tabs
Specifications, Determination, Substances and Calculations (see
section 5.2).
11. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>. The determination is recalculated and the new
results are displayed in the RESULTS window.
12. If desired, repeat steps 10 and 11 once or several times.

797 VA Computrace – Software 217

 8 How to ...?

13. If you want to save the modified determination under the same
name, click on or MAIN WINDOW / File / Save determina-
tion. The old file will be overwritten.
14. If you want to save the modified determination under a new
name, click on MAIN WINDOW / File / Save determination as.
Select the desired directory, enter the determination file name
*.dth in the SAVE AS window, and click the <Save> button.

Print determination results and curves

1. Click on or MAIN WINDOW / File / Print. The PRINT OP-

TIONS window is opened.
2. Select the elements, which should be printed (see Printing in
determination mode, section 5.7).
3. Select the order of printout for each element checked.
4. Close the PRINT OPTIONS window by clicking the <OK> button.

8.6 Analyze Electroplating Bath Solutions

Introduction
The 797 VA Computrace can perform electroplating bath analysis.
Two modes are especially designed for Electroplating Bath VA: CVS
(Cyclic Voltammetric Stripping) and CPVS (Cyclic Pulse Voltammet-
ric Stripping).
With these two modes, 8 different Calibration techniques can be
chosen:

For method optimization:

“Standard addition plating bath” (this Calibration
technique is used to develop and optimize methods)

For Brightener analyzing:

“MLAT Standard addition for brighteners” (Modi-
fied Linear Approximation Technique)
“LAT Standard addition for brighteners” (Linear
Approximation Technique)
"LAT Record intercept value” (is used to record the
"Intercept value")

For Suppressor analyzing ("Dilution Titration Technique"):

"Dilution Titration Technique"

“DT Record calibration curve“ (used to record the
calibration curve)

218 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

“DT Suppressors with calibration curve” (used to

determine the Sample)

"Response Curve Technique"

"RC Record response curve" (Used to record the re-
sponse curve)
"RC Sample with response curve” (Used to determine
the sample)

Choose the mode in Electroplating Bath VA

To run Electroplating Bath VA, you can choose between 2 modes:
CVS (Cyclic Voltammetric Stripping) and CPVS (Cyclic Pulse Volt-
ammetric Stripping).
You can select them in the Mode field of the Determination tab of
the WORKING METHOD SPECIFICATION window.
CVS is the standard mode for Electroplating Bath VA. In case your
bath solution has a high iron content, and you want to do Bright-
ener analysis, choose CPVS.

Choose the Calibration technique in Electroplating Bath VA

Working with the CVS or CPVS, 8 different Calibration techniques
are selectable in the WORKING METHOD SPECIFICATION window:

For method optimization:

"Standard addition plating bath”
This Calibration technique is used to develop and optimize
methods. It gives information about the response of a single
component of a plating bath.

For Brightener analysis:

MLAT
"MLAT Standard addition for brighteners”
This Calibration technique is used to analyze Brighteners. It is the
standard technique to analyze Brighteners in electroplating
baths (Exception: If the difference between Q(“Intercept solu-
tion” + “Bath solution”) and Q(only “Intercept solution”) is too
small to use “MLAT”, try “LAT Standard addition for bright-
eners”).
Typical standard addition scheme for MLAT:
1. Place “Intercept solution” into the sample vessel and press
start. The “Intercept value” Q(intercept) is determined in the
first measurement after the conditioning of the electrode.
2. Add “Bath solution” and measure the value Q(intercept +
bath).

797 VA Computrace – Software 219

 8 How to ...?

3. Add Brightener standard solution several times and measure

Q(addition) for each addition. Usually, two or three standard
additions are made for the determination of Brighteners.

LAT
"LAT Standard addition for brighteners" (and "LAT Record inter-
cept value" to record the "Intercept value").
The second Calibration technique (should only be applied if
"MLAT" is inapplicable) is "LAT Standard addition for brighte-
ners". It differs from "MLAT" in the fact that the "Intercept solu-
tion" with the "Intercept value" Q(intercept) is measured up-
front, and then removed for the actual sample measurement.
1. Determination of the "Intercept value". It can be determined
in two ways:
A. Using the Calibration technique "LAT Record intercept
value". This Calibration technique is only used to deter-
mine the "Intercept value":
1. Place "Intercept solution" into the sample vessel.
2. Measure solution and save the result in a file.
B. Using the Calibration technique "LAT Standard addition
for brighteners":
1. Set No. of additions and Intercept value (mC) on the
Determination tab of the EDIT WORKING METHOD
PARAMETERS window to 0. No file needs to be de-
fined for Intercept determination.
2. Place "Intercept solution" into the sample vessel and
click start. After measurement, read "Q.Mean” out of
the results sheet: That is the "Intercept value"
Q(Intercept) for this solution.
2. The determination of the Bath solution is then done using
the Calibration technique "LAT Standard addition for
brighteners":
1. Remove the "Intercept solution" from the meas-
uring vessel.
2. If you determined the "Intercept value" by
method A:
Enter path and file name of the (with "LAT Record
intercept value") recorded determination into field
Intercept determination on the Determination tab
of the EDIT WORKING METHOD PARAMETERS
window.
If you determined the "Intercept value" by method B:
Enter the determined "Intercept value" into field
Intercept value on the Determination tab of the
EDIT WORKING METHOD PARAMETERS window.

220 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

3. Define the No. of additions on the Determination

tab of the EDIT WORKING METHOD PARAME-
TERS window.
4. Place the "Bath solution" into the sample vesse-
land click start. Q(Bath) is determined.
5. Add Brightener standard solution several times
and measure Q(addition) for each addition. Nor-
mally, two or three standard additions should be
done for the brightener determination.

Note: If you make several measurements of bath solutions

with the same composition, you can do the actual determi-
nation of the "Bath solution" several times with the same
"Intercept value". However, the "ntercept value" sould be
redetermined in regular intervals.

For Suppressor analyses:

Dilution Titration Technique
"DT Suppressors with calibration curve", and "DT Record calibra-
tion curve" to record the calibration curve.
The "Dilution Titration Technique" is used for the determination
of Suppressors. It consists of two measurement parts:
A. “DT Record calibration curve”
This Calibration technique is used to record the calibration
curve and determine the “Calibration factor” with addition
of a standard solution containing a known Suppressor con-
centration.
Typical standard addition scheme for DT Record calibration
curve:
1. Define "Addition ratio" and "Evaluation ratio" on the
Substances tab of the EDIT WORKING METHOD PA-
RAMETERS window.
2. Place the VMS (Virgin Make-up Solution) into the
sample vessel and click on start. Q(0) is determined.
3. Add Suppressor standard solution and measure
Q(addition) for each addition, until Q/Q(0) < "Additi-
on ratio". If the "Addition ratio" is reached with less
than 5 or more than 20 additions, the concentration
of the Suppressor standard solution or the addition
volume should be adjusted.
B. "DT Suppressors with calibration curve"
This Calibration technique is used to determine the Suppres-
sor concentration. The scheme is similar to "DT Record cali-
bration curve", except that not standard solution, but Pro-
duction bath solution is added to the VMS.

797 VA Computrace – Software 221

 8 How to ...?

Typical standard addition scheme for "DT Suppressors with

calibration curve":
1. Choose a previously recorded Calibration curve on
the Determination tab of the EDIT WORKING
METHOD PARAMETERS window. Use the
button to search for the Calibration curve file. “Addi-
tion ratio” and “Evaluation ratio” are set automati-
cally to the values used for recording the calibration
curve.
2. Place the VMS (Virgin Make-up Solution) into the
sample vessel and click on start. Q(0) is determined.
3. Add “Production bath solution” and measure
Q(addition) for each addition, until Q/Q(0) < “Addi-
tion ratio”.

Response-Curve-Technik
"RC Sample with response curve", and "RC Record response
curve" to record the response curve.
The “response curve technique” is used for the determination of
suppressor. It should be applied, if the "dilution titration techni-
que" is inapplicable. It consists of two measurement parts:

A. "RC Record response curve”

This Calibration technique is used to determine the Suppres-
sor concentration. That is done by addition of a Suppressor
standard solution containing a known Suppressor con-
centration to an Electrolyte solution.
Typical standard addition scheme for "RC Record response
curve":
1. Place the Electrolyte sulution into the sample vessel
and click on start. Q(0) is determined.
2. Add Suppressor standard solution and measure
Q(addition) for each addition.

B. "RC Sample with response curve”

This Calibration technique wird zur Bestimmung der Supp-
ressor-Konzentration verwendet.
1. Wählen Sie eine vorher aufgenommene "Response
Choose a previously recorded Response curve on the
Determination tab of the EDIT WORKING METHOD
PARAMETERS Fensters. Use the button to
search for the response curve file.
2. Place the Electrolyte sulution into the sample vessel
and click on start. Q(0) is determined.
3. Remove the Electrolyte sulution.

222 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

4. Place the Production bath solution into the sample

vessel and measure Q.

Operate a sequence in Electroplating Bath VA

The sequence to measure with the electroplating modes CVS or
CPVS includes the following steps:

1. Initial mixing time

2. Initial electrode conditioning
a. Conditioning cycles (Number of “conditioning cycles” de-
fined in No. of cycles on the Voltammetric tab of the EDIT
WORKING METHOD PARAMETERS window)

b. Pretreatment
c. Sweep (Number of sweeps defined in No. of sweeps on the
Voltammetric tab of the EDIT WORKING METHOD PA-
RAMETERS window)

Note: Define the number of these "Initial electrode condition-

ing measurements” on the Determination tab of the EDIT WOR-
KING METHOD PARAMETERS window. You can either set a fi-
xed number, or put a ”Std.dev.“ as stabilizing border.

3. First Measurement:
a. Conditioning cycles (Number of “conditioning cycles” de-
fined in No. of cycles on the Voltammetric tab of the EDIT
WORKING METHOD PARAMETERS window)

b. Pretreatment
c. Sweep (Number of sweeps is defined in No. of sweeps,
number of saved sweeps in Save last .. sweeps on the Volt-
ammetric tab of the EDIT WORKING METHOD PARAME-
TERS window)

Note: Instead of repeating sweeps, you can also repeat

the whole Measurement cycle. Define the number of repli-
cations in No. of replications on the Determination tab of
the EDIT WORKING METHOD PARAMETERS window.
Metrohm recommends to set the No. of replications on 1,
the No. of sweeps on 4 and Save last .. sweeps on 2.

4. First Addition:
Add standard or bath solution (is depending on the Cali-
bration technique). You can do it either manually or auto-
matically using Dosing Devices. The Volume should be de-
fined on the Substances tab of the EDIT WORKING
METHOD PARAMETERS window.
5. Addition mixing time:

797 VA Computrace – Software 223

 8 How to ...?

The “Addition mixing time” can be defined on the Deter-

mination tab of the EDIT WORKING METHOD PARAME-
TERS window.
6. Second Measurement:
a. Conditioning cycles (Number of “conditioning cycles” de-
fined in No. of cycles on the Voltammetric tab of the EDIT
WORKING METHOD PARAMETERS window)

b. Pretreatment
c. Sweep (Number of sweeps is defined in No. of sweeps,
number of saved sweeps in Save last .. sweeps on the Volt-
ammetric tab of the EDIT WORKING METHOD PARAME-
TERS window)

Note: Instead of repeating sweeps, you can also repeat

the whole Measurement cycle. Define the number of repli-
cations in No. of replications on the Determination tab of
the EDIT WORKING METHOD PARAMETERS window. Met-
rohm recommends to set the No. of replications on 1, the
No. of sweeps on 4 and Save last .. sweeps on 2.

7. Second Addition
8. Addition mixing time

Continue with measurement, addition, mixing as long as necessary.

Brightener Analysis with 838 Advanced Sample Processor and "MLAT"

Following installations and settings are recommended for the au-
tomated Brightener determination with the 838 Advanced Sample
Processor and Calibration technique "MLAT":

Instruments
Install the 838 Advanced Sample Processor, three 800 Dosi-
nos and a 732 Relay Box with two 823 Membrane Pump
Units (see Hardware Manual 797 and Instructions for Use 838).
Dosinos:
Dosino 1: 50 mL Exchange Unit VMS solution
Dosino 2: 2 mL Exchange Unit Brightener standard so-
lution
Dosino 3: 2 mL Exchange Unit Suppressor concentrate

Method at 838
Before each start, define the position of the first sample vessel for
the 838 parameter "SAMPLE" with the 838 keypad.
Set method LAT at the 838 Advanced Sample Processor.

224 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

LAT
parameters
method LAT
number of samples rack > Number of samples to be
processed (entire sample
rack)

>start sequence
1 CTL:Rm: INIT > Initialize Remote lines
2 Move 1 : sample > First Sample on Pos. "SAM-
PLE"
3 CTL:Rm: ************1 > Remote start CT797
4 CTL:Rm: ************0

>sample sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : sample > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 PERISTALT: 300 s 10 > Sample transfer
5 CTL:Rm: ************1 > Set line: sample transfer
ready
6 CTL:Rm: ************0
7 MOVE 1 : +28 > Move needle to rinsing posi-
tion
8 LIFT: 1 work mm > Place needle at working posi-
tion
9 PERISTALT: 5 s 10 > Suck rinsing solution in the
needle
10 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
11 PERISTALT: 300 s 10 > Rinse needle
12 CTL:Rm: ************1 > Set line: needle cleaning
ready
13 CTL:Rm: ************0

Samples
With 50 mL sample vessels the two outer rings are used, with 11
mL sample vessels the two inner rings.
Arrangement: Place samples on the outer of the two rings, place
rinsing solutions on the inner of the two rings.
Example for an arrangement with 11 samples:
⇒ With 50 mL sample vessels: first sample on position 1, first
rinsing solution on position 29.

797 VA Computrace – Software 225

 8 How to ...?

2 1 28
3 27

30 29 56
31 55
58 57 84
59 83
86 85 112
87 111

Sample

Rinsing solution

not used

⇒ With 11 mL sample vessels: first sample on position 57,

first rinsing solution on position 85.

2 1 28
3 27

30 29 56
31 55
58 57 84
59 83
86 85 112
87 111

Sample

Rinsing solution

not used

Note: Before each start, define the position of the first sample
vessel for the 838 parameter "SAMPLE" with the 838 keypad.

226 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

General Settings in the 797 Software

Settings on the Dosinos tab of the GENERAL SETTINGS window in
the 797 Software:

It is recommended to do for all used Dosinos one "Prep cycle".

On the Automation tab, select the 838 Advanced Sample Processor.
The default settings can be adopted (click button <Default>).

Method Parameters for the 797

Set CVS or CPVS for Mode, and "MLAT" for Calibration.
Settings for the DOSINOS window:

Checking Use for predose for Dosino 1, VMS and additional Sup-
pressor concentrate are added to the measuring vessel before the
sample transfer. Together, they form the "Intercept solution". To
keep the Suppressor concentration stable, additional Suppressor
concentrate is added after the sample transfer.

797 VA Computrace – Software 227

 8 How to ...?

Dosino 2 is used to add Brightener standard solution. That should

also be indicated on the Substances tab of the EDIT WORKING
METHOD PARAMETERS window (here with CVS):

Sample table
List the samples in turn on the Sample table, and connect them to
the according method (note the method parameters described
above):

Start determination.

Brightener Analysis with 838 Advanced Sample Processor and "LAT"

"LAT" should only be used, if the difference between Q(Intercept

solution + Bath solution) and Q(only Intercept solution) is too small
for "MLAT".
Following installations and settings are recommended for the au-
tomated Brightener determination with the 838 Advanced Sample
Processor and Calibration technique "LAT":

228 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Instruments
Install the 838 Advanced Sample Processor, a 800 Dosino, a
732 Relay Box with two 823 Membrane Pump Units (see
Hardware Manual 797 and 838 Instructions for Use).
Dosinos:
(Dosino 1: not used)
Dosino 2: 2 mL Exchange Unit Brightener standard so-
lution
(Dosino 3: not used)

Method at 838
Before each start, define the position of the first sample vessel for
the 838 parameter "SAMPLE" with the 838 keypad.
Set method LAT at the 838 Advanced Sample Processor.
LAT
parameters
method LAT
number of samples rack > Number of samples to be
processed (entire sample
rack)

>start sequence
1 CTL:Rm: INIT > Initialize Remote lines
2 Move 1 : sample > First Sample on Pos. "SAM-
PLE"
3 CTL:Rm: ************1 > Remote start CT797
4 CTL:Rm: ************0

>sample sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : sample > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 PERISTALT: 300 s 10 > Sample transfer
5 CTL:Rm: ************1 > Set line: sample transfer
ready
6 CTL:Rm: ************0
7 MOVE 1 : +28 > Move needle to rinsing posi-
tion
8 LIFT: 1 work mm > Place needle at working posi-
tion
9 PERISTALT: 5 s 10 > Suck rinsing solution in the
needle
10 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
11 PERISTALT: 300 s 10 > Rinse needle
12 CTL:Rm: ************1 > Set line: needle cleaning
ready
13 CTL:Rm: ************0

Samples

797 VA Computrace – Software 229

 8 How to ...?

50 mL sample vessels can be placed on the two outer rings (11 mL

sample vessels on the two inner rings).
Arrangement: Place on the outer of the two rings alternately "In-
tercept solution" and sample solution, on the inner of the two rings
the rinsing solution.
Example for an arrangement with 7 samples:
2 1 28
3 27

30 29 56
31 55
58 57 84
59 83
86 85 112
87 111

Intercept solution

Sample

Rinsing solution

not used

Note: Although the first sample is placed on position 2, position

1 remains the starting position in the start sequence of the
method at the 838 (recording the "Intercept value").

Note: Before each start, define the position of the first sample
vessel for the 838 parameter "SAMPLE" with the 838 keypad.

General Settings in the 797 Software

Activate both options on the General tab of the GENERAL SET-
TINGS window, so that a recorded "Intercept value" replaces the
old one automatically.
Settings on the Dosinos tab of the GENERAL SETTINGS window in
the 797 Software:

230 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

It is recommended to do one "Prep cycle".

On the Automation tab, select the 838 Advanced Sample Processor.
The default settings can be adopted (click button <Default>).

Method Parameters for the 797

It is recommended to record the "Intercept value" with the Calibra-
tion technique "LAT Record intercept value" (that way it is stored in
a file and can be read out automatically during the sample deter-
mination).
Therefore two methods are needed, one for the determination of
the "Intercept value", one for the determination of the sample. Set
CVS or CPVS for Mode for both methods.

Determination of the "Intercept value":

Choose "LAT Standard addition for brighteners" for Calibration
technique.
In the Dosinos window, the same settings should be made as
later for the sample determination with "LAT Standard addition
for brighteners" (see below). But for the determination of the
"Intercept value" no addition is done.

Determination of the sample:

Choose "LAT Standard addition for brighteners" for Calibration
technique.
Settings in the DOSINOS window:

797 VA Computrace – Software 231

 8 How to ...?

After the addition of the sample, Brightener standard solution is

added via Dosino 2. That should be specified on the Substances
tab of the EDIT WORKING METHOD PARAMETERS window (here
the window for CVS):

Enter the file name as which the determination of the "Intercept

value" was saved into menu item Intercept determination on the
Determination tab of the EDIT WORKING METHOD PARAMETERS
window (here the window for CVS):

232 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Note: To make sure that always the latest intercept file is taken
for the calculation, the name of the intercept file defined for the
parameter Intercept determination, must match with the pa-
rameter Sample identifier on the Determination tab with Calibra-
tion technique "LAT Record intercept value".

Note: To make sure that always the latest intercept file is taken
for the calculation, the path of the intercept file defined for the
parameter Intercept determination, must match with the path
defined for the parameter Data folder (for the currently logged-
in user) on the tab User Directories of the window USER RIGHTS.

Sample table
In the Sample table, itemize alternately (based on the arrangement
on the sample rack) a method with Calibration technique "LAT Re-
cord intercept value" (as first) and a method with Calibration tech-
nique "LAT Standard addition for brighteners":

Start determination.

797 VA Computrace – Software 233

 8 How to ...?

Suppressor Analysis with 838 Advanced Sample Processor and DT

Following installations and settings are recommended for the
automated Suppressor determination with the 838 Advanced
Sample Processor and the "dilution titration technique":

Instruments
Install the 838 Advanced Sample Processor, two 800 Dosi-
nos and a 732 Relay Box with two 823 Membrane Pump
Units (see Hardware Manual 797 and 838 Instructions for Use).
Dosinos:
Dosino 1: 50 mL Exchange Unit VMS Solution
(Dosino 2: not used)
Dosino 3: 2 mL Exchange Unit Sample / Suppressor
standard solution
Dosino 3 must be used to add Suppressor standard solution when
recording the calibration curve - and to add sample when de-
termining the sample. It is connected directly to the pipetting need-
le of the 838 Advanced Sample Processor.

Method at 838
Before each start, define the position of the first sample vessel for
the 838 parameter "SAMPLE" with the 838 keypad.
Set method DT at the 838 Advanced Sample Processor.

Note: You should enter the exact number of samples for parame-
ter number of samples. Otherwise the Dosino won't be rin-
sed at the end.

DT
parameters
method DT
number of samples 16 > Number of samples to be
processed (entire sample
rack)

>start sequence
1 CTL:Rm: INIT > Initialize Remote lines
2 Move 1 : sample > First Sample on Pos. "SAM-
PLE"
3 CTL:Rm: ************1 > Remote start CT797
4 CTL:Rm: ************0 >

>sample sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : sample > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 CTL:Rm: ************1 > Set line: Needle immersed in
sample vessel
5 CTL:Rm: ************0 >

234 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

>final sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : next > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 CTL:Rm: ************1 > Set line: Needle immersed in
rinsing sol.
5 CTL:Rm: ************0 >

Note: If (as in this example) all used Dosinos are connected to the
797, the originally listed commands 6 – 10 of the sample se-
quence must be deleted.

Samples
Samples and Suppressor standard solutions are placed on the rack.
It is recommended to use the two inner rings with 11 ml sample
vessels. How frequently the calibration curve needs to be recorded
(with Calibration technique "DT Record calibration curve") depends
on the chemistry of the bath.

Note: Place a sample vessel with rinsing solution at the end of the
series.

Arrangement: At the first position a Suppressor standard solution

to record the calibration curve. Then samples, and, when a recali-
bration is necessary, another Suppressor standard solution. At the
end rinsing solution.
Example for a sample rack with 14 samples, 2 Suppressor stan-
dard solutions and one rinsing solution:
2 1 28
3 27

30 29 56
31 55
58 57 84
59 83
86 85 112
87 111

Suppressor standard

Sample

Rinsing solution

not used

Note: Before each start, define the position of the first sample
vessel for the 838 parameter "SAMPLE" with the 838 keypad.

General Settings in the 797 Software

797 VA Computrace – Software 235

 8 How to ...?

Activate both options on the General tab of the GENERAL SET-

TINGS window, so that a recorded calibration curve replaces the
old one automatically.
Settings on the Dosinos tab of the GENERAL SETTINGS window in
the 797 Software:

It is recommended to do for Dosino1 one "Prep cycle" and for Dos-

ino3 two "Prep cycles".
On the Automation tab, select the 838 Advanced Sample Processor.
The default settings can be adopted (click button <Default>).

Method Parameters for the 797

Two steps are required for Suppressor determination. One to re-
cord the calibration curve with Calibration technique "DT Record
calibration curve", another for the actual sample determination
with Calibration technique "DT Suppressors with calibration curve".
Set CVS or CPVS for Mode for both methods.
Recording of the calibration curve:
Choose "DT Record calibration curve" for Calibration.
Settings in the Dosinos window:

236 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Checking Use for predose for Dosino 1, VMS is added to the

measuring vessel before the sample transfer. Then Suppressor
standard solution is added via Dosino 3. That should be specified
on the Substances tab of the EDIT WORKING METHOD PARAME-
TERS window (here the window for CVS):

Determination of the sample:

Choose "DT Suppressors with calibration curve" for Calibration
technique.
Settings in the DOSINOS window:

Checking Use for predose for Dosino 1, VMS is added to the

measuring vessel before the sample transfer. Then sample is
added via Dosino 3. That should be specified on the Substances
tab of the EDIT WORKING METHOD PARAMETERS window (here
the window for CVS):

797 VA Computrace – Software 237

 8 How to ...?

The determination tab of the window for CVS:

Note: To make sure that always the latest calibration file is ta-
ken for the calculation, the name of the calibration file defined
for the parameter Calibration curve on the Determination tab (of
the window EDIT WORKING METHOD PARAMETERS) with cali-
bration "DT Suppressors with calibration curve", must match
with the name defined for the parameter Sample identifier on
the Determination tab (of the window EDIT WORKING METHOD
PARAMETERS) with Calibration technique "DT Record calibration
curve".

238 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Note: To make sure that always the latest calibration file is ta-
ken for the calculation, the path of the calibration file defined
for the parameter Calibration curve on the Determination tab (of
the window EDIT WORKING METHOD PARAMETERS with cali-
bration "DT Suppressors with calibration curve", must match
with the path defined for the parameter Data folder (for the cur-
rently logged-in user) on the tab User Directories of the window
USER RIGHTS.

Sample table
In the Sample table, list (according to the arrangement on the sam-
ple rack) for every Suppressor standard solution a method with
Calibration technique "DT Record calibration curve" and for every
sample a method with Calibration technique "DT Suppressors with
calibration curve":

Start determination.

Suppressor Analysis with 838 Advanced Sample Processor and RC

Following installations and settings are recommended for the au-
tomated Suppressor determination with the 838 Advanced
Sample Processor and the "response curve technique":

Note: The "response curve technique" is used for Suppressor de-

termination in electroplating baths, if the “dilution titration techni-
que" is inapplicable.

Instruments
Install the 838 Advanced Sample Processor, two 800 Dosi-
nos and a 732 Relay Box with two 823 Membrane Pump
Units (see Hardware Manual 797 and 838 Instructions for Use).
Dosinos:
Dosino 1: 50 mL Exchange Unit Electrolyte solution

797 VA Computrace – Software 239

 8 How to ...?

(Dosino 2: not used)

Dosino 3: 2 mL Exchange Unit Sample / Suppressor
standard solution

Method at 838
Before each start, define the position of the first sample vessel for
the 838 parameter "SAMPLE" with the 838 keypad.
Set method LAT at the 838 Advanced Sample Processor.
LAT
parameters
method LAT
number of samples rack > Number of samples to be
processed (entire sample
rack)

>start sequence
1 CTL:Rm: INIT > Initialize Remote lines
2 Move 1 : sample > First Sample on Pos. "SAM-
PLE"
3 CTL:Rm: ************1 > Remote start CT797
4 CTL:Rm: ************0

>sample sequence
1 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
2 MOVE 1 : sample > Move needle to sample
3 LIFT: 1 : work mm > Place needle at working posi-
tion
4 PERISTALT: 300 s 10 > Sample transfer
5 CTL:Rm: ************1 > Set line: sample transfer
ready
6 CTL:Rm: ************0
7 MOVE 1 : +28 > Move needle to rinsing posi-
tion
8 LIFT: 1 work mm > Place needle at working posi-
tion
9 PERISTALT: 5 s 10 > Suck rinsing solution in the
needle
10 SCN:Rm: *****1** > Scan line for incoming signal
from CT797
11 PERISTALT: 300 s 10 > Rinse needle
12 CTL:Rm: ************1 > Set line: needle cleaning
ready
13 CTL:Rm: ************0

Samples
50 mL sample vessels can be placed on the two outer rings (11 mL
sample vessels on the two inner rings).

Arrangement: Place on the outer of the two rings for each method
with Calibration technique "RC Record response curve" an empty
vessel, and for each method with Calibration technique "RC Sample
with response curve" a vessel with sample (see "Sample table",
below).

240 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Example for a sample rack with 12 samples:

2 1 28
3 27

30 29 56
31 55
58 57 84
59 83
86 85 112
87 111

Sample

Rinsing solution

not used

Note: Although the first sample is placed on position 2, position

1 remains the starting position in the start sequence of the
method at the 838 (recording the Response curve).

Note: Before each start, define the position of the first sample
vessel for the 838 parameter "SAMPLE" with the 838 keypad.

General Settings in the 797 Software

Activate both options on the General tab of the GENERAL SET-
TINGS window, so that a recorded calibration curve replaces the
old one automatically.
Settings on the Dosinos tab of the GENERAL SETTINGS window in
the 797 Software:

797 VA Computrace – Software 241

 8 How to ...?

Es wird für beide Dosino ein "Prep-Zyklus" empfohlen.

On the Automation tab, select the 838 Advanced Sample Processor.
The default settings can be adopted (click button <Default>).

Method Parameters for the 797

Two steps are required for Suppressor determination. One to re-
cord the response curve with Calibration technique "RC Record re-
sponse curve", another for the actual sample determination with
Calibration technique "RC Sample with response curve". Set CVS or
CPVS for Mode for both methods.
Recording of the Response Curve::
Choose "RC Record response curve" for Calibration.
Settings in the Dosinos window:

After the addition of Electrolyte solution, Suppressor standard

solution is added via Dosino 3. That should be specified on the
Substances tab of the EDIT WORKING METHOD PARAMETERS
window (here the window for CVS):

242 797 VA Computrace – Software

 8.6 Analyze Electroplating Bath Solutions

Determination of the sample:

Choose "RC Sample with response curve" for Calibration tech-
nique.
Settings in the DOSINOS window:

Checking Use for predose for Dosino 1, Electrolyte solution is

placed into the measuring vessel. Then, the measuring vessel is
emptied (only if Add production bath to electrolyte on the tab
Determination of the window for CVS is not activated) and the
sample is placed.
The determination tab of the window for CVS:

797 VA Computrace – Software 243

 8 How to ...?

Note: To make sure that always the latest "response curve file"
is taken for the calculation, the name of the "response curve fi-
le" defined for the parameter Response curve on the Determina-
tion tab (of the window EDIT WORKING METHOD PARAMETERS)
with calibration "RC Sample with response curve", must match
with the name defined for the parameter Sample identifier on
the Determination tab (of the window EDIT WORKING METHOD
PARAMETERS) with Calibration technique "RC Record response
curve".

Note: To make sure that always the latest "response curve file"
is taken for the calculation, the path of the calibration file defi-
ned for the parameter Response curve on the Determination tab
(of the window EDIT WORKING METHOD PARAMETERS with
calibration "RC Sample with response curve", must match with
the path defined for the parameter Data folder (for the currently
logged-in user) on the tab User Directories of the window USER
RIGHTS.

Sample table
In the Sample table, list (according to the arrangement on the sam-
ple rack) for every empty vessel on the sample rack a method with
Calibration technique RC Record response curve and for every sam-
ple a method with Calibration technique RC Sample with response
curve:

244 797 VA Computrace – Software

 8.7 Standard addition technique

Start determination.

8.7 Standard addition technique

Use manual standard addition without solution exchange

In the manual standard addition without solution exchange, a
known amount of the analyte is added once or several times to the
sample using a pipette. Proceed as follows:

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. Select Standard addition in the Calibration field of the WORK-
ING METHOD SPECIFICATIONS window.
5. Select Manual in the Addition field of the WORKING METHOD
SPECIFICATIONS window.
6. Select Batch in the Technique field of the WORKING METHOD
SPECIFICATIONS window.

7. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
8. Select the Determination tab (see section 5.2) and enter Sample
identifier, Sample amount (not with the modes CVS and CPVS),
Cell volume, and the number of standard additions in the No. of
additions field. (If you work with the CVS or CPVS mode, see
section 6.2 Calibration techniques with CVS and CPVS for a de-
scription of the parameters on the Determination tab).
9. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the number of the sin-

797 VA Computrace – Software 245

 8 How to ...?

gle or mixed standard addition solution, its concentration and

its volume is defined.
10. If the standard addition should be done with variable addition
volumes, click the button in the Volume column to open
the EDIT VARIED ADDITION window, enter the variable addi-
tion volumes in the Addition fields, and close this window by
clicking <OK>.
11. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
12. Place the sample solution in the measuring vessel at the 797
VA Computrace stand.

13. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

14. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
15. Enter the Sample ID (used as part of the determination file na-
me) in the PLACE SAMPLE window and click <OK>.
16. Each time a standard addition is required in the MANUAL AD-
DITION window, add the standard addition solution using a pi-
pette.

Use manual standard addition with solution exchange

In the manual standard addition with solution exchange, a new
sample solution is used for every standard addition. Proceed as fol-
lows:

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. Select Standard addition in the Calibration field of the WORK-
ING METHOD SPECIFICATIONS window.
5. Select Manual in the Addition field of the WORKING METHOD
SPECIFICATIONS window.
6. Select Batch with solution exchange in the Technique field of
the WORKING METHOD SPECIFICATIONS window (is not select-
able with the CVS and CPVS mode).

7. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.

246 797 VA Computrace – Software

 8.7 Standard addition technique

8. Select the Determination tab (see section 5.2) and enter Sample
identifier, Sample amount, Cell volume, and the number of
spiked solutions in the No. of cells field.
9. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the concentrations of
the spiked sample solutions are defined in the CELL CONCEN-
TRATIONS window which is opened by clicking on the
button.
10. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
11. Place the sample solution in the measuring vessel at the 797
VA Computrace stand.

12. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

13. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
14. Enter the Sample ID (used as part of the determination file na-
me) in the PLACE SAMPLE window and click <OK>.
15. Each time a solution exchange is required in the BATCH SOLU-
TION EXCHANGE window, replace the measuring solution by
the next spiked sample solution.

Use automatic standard addition

In the automatic standard addition, a known amount of the analyte
is added once or several times to the sample using 700/800 Dosi-
nos, or 685/805 Dosimats. Proceed as follows:
1. Install Dosing Devices to the 797 VA Computrace stand (see
How to Install Dosing Devices for automatic addition, section
8.1).

2. Click on or MAIN WINDOW / Mode / Determination.

3. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
4. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
5. Select Standard addition in the Calibration field of the WORK-
ING METHOD SPECIFICATIONS window.
6. Select Automatic for Addition in the WORKING METHOD SPECI-
FICATIONS window.

7. Click to open the DOSINOS window.

797 VA Computrace – Software 247

 8 How to ...?

8. Check the Dosing Devices, which are used for standard addi-
tion in the Use field (see Dosing Devices, section 5.2)
9. Close the DOSINOS window by clicking <OK>.

10. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
11. Select the Determination tab (see section 5.2) and enter Sample
identifier, Sample amount, Cell volume, and the number of
standard additions in the No. of additions field (If you work
with the CVS or CPVS mode, see section 6.2 Calibration tech-
niques with CVS and CPVS for a description of the parameters
on the Determination tab).
12. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the number of the sin-
gle or mixed standard addition solution, its concentration and
its volume is defined. The No. of the standard solution must be
identical to the number of the Dosing Devices used for auto-
matic addition of this solution.
13. If the standard addition should be done with variable addition
volumes, click the button in the Volume column to open
the EDIT VARIED ADDITION window, enter the variable addi-
tion volumes in the Addition fields, and close this window by
clicking <OK>.
14. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
15. Place the sample solution in the measuring vessel at the 797
VA Computrace stand.

16. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

17. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
18. Enter the Sample ID (used as part of the determination file
name) in the PLACE SAMPLE window and click <OK>.

8.8 Calibration curve technique

Record calibration curve manually by adding standard solution

This method is used for preparing different calibration solutions by
adding several times a concentrated standard solution to the meas-
uring solution using a pipette. Proceed as follows:

1. Click on or MAIN WINDOW / Mode / Determination.

248 797 VA Computrace – Software

 8.8 Calibration curve technique

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. Select Record calibration curve in the Calibration field of the
WORKING METHOD SPECIFICATIONS window (is not selectable
with the CVS and CPVS mode).
5. Select Manual in the Addition field of the WORKING METHOD
SPECIFICATIONS window.
6. Select Batch in the Technique field of the WORKING METHOD
SPECIFICATIONS window.

7. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
8. Select the Determination tab (see section 5.2) and enter the Cell
volume and the number of additions in the No. of additions
field.
9. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the number of the sin-
gle or mixed standard solution, its concentration and its volume
is defined.
10. If the addition of the standard solution should be done with
variable addition volumes, click the button in the Volume
column to open the EDIT VARIED ADDITION window, enter the
variable addition volumes in the Addition fields, and close this
window by clicking <OK>.
11. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
12. Place the electrolyte solution (e.g. buffer) in the measuring ves-
sel at the 797 VA Computrace stand.

13. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

14. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
15. Enter the Calibration curve id (used as part of the determination
file name) in the START CALIBRATION window and click <OK>.
16. Each time an addition is required in the MANUAL ADDITION
window, add the standard solution using a pipette.

Record calibration curve manually with solution exchange

This method is used for recording a calibration curve using different
calibration solutions of known concentration. Proceed as follows:

797 VA Computrace – Software 249

 8 How to ...?

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. Select Record calibration curve in the Calibration field of the
WORKING METHOD SPECIFICATIONS window (Is not selectable
with the CVS and CPVS mode).
5. Select Manual in the Addition field of the WORKING METHOD
SPECIFICATIONS window.
6. Select Batch with solution exchange in the Technique field of
the WORKING METHOD SPECIFICATIONS window.

7. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
8. Select the Determination tab (see section 5.2) and enter the Cell
volume and the number of calibration solutions in the No. of
cells field.
9. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the concentrations of
the calibration solutions are defined in the CELL CONCEN-
TRATIONS window which is opened by clicking on the
button.
10. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
11. Place the first calibration solution in the measuring vessel at the
797 VA Computrace stand.

12. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

13. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
14. Enter the Calibration curve id (used as part of the determination
file name) in the START CALIBRATION window and click <OK>.
15. Each time a solution exchange is required in the BATCH SOLU-
TION EXCHANGE window, replace the solution measured by
the next calibration solution.

Record calibration curve automatically

This method is used for preparing different calibration solutions by
adding automatically several times a concentrated standard solu-

250 797 VA Computrace – Software

 8.8 Calibration curve technique

tion to the measuring solution using 700/800 Dosinos or 685/800

Dosimats. Proceed as follows:
1. Install Dosing Devices to the 797 VA Computrace stand (see
How to Install Dosing Devices for automatic addition, section
8.1).

2. Click on or MAIN WINDOW / Mode / Determination.

3. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
4. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
5. Select Record calibration curve in the Calibration field of the
WORKING METHOD SPECIFICATIONS window (Is not selectable
with the CVS and CPVS mode).
6. Select Automatic in the Addition field of the WORKING
METHOD SPECIFICATIONS window.

7. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
8. Select the Determination tab (see section 5.2) and enter the Cell
volume and the number of additions in the No. of additions
field.
9. Select the Substances tab (see section 5.2) and make sure that
for each substance entered in the table the number of the sin-
gle or mixed standard solution, its concentration and its volume
is defined. The No. of the standard solution must be identical to
the number of the Dosing Devices used for automatic addition
of this solution.
10. If the addition of the standard solution should be done with
variable addition volumes, click the button in the Volume
column to open the EDIT VARIED ADDITION window, enter the
variable addition volumes in the Addition fields, and close this
window by clicking <OK>.
11. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
12. Place the electrolyte solution (e.g. buffer) in the measuring ves-
sel at the 797 VA Computrace stand.

13. Click on or MAIN WINDOW / Window / Monitor to open the

MONITOR window.

14. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING window.
15. Enter the Calibration curve id (used as part of the determination
file name) in the START CALIBRATION window and click <OK>.

797 VA Computrace – Software 251

 8 How to ...?

Measure a sample using a calibration curve

For the determination of a sample using a previously recorded ca-
libration curve, this calibration curve must have been recorded and
saved. Proceed as follows:

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.
3. Load the desired method into the WORKING METHOD SPECIFI-
CATIONS window (see How to Load a method, section 8.4).
4. Select Sample with calibration curve in the Calibration field of
the WORKING METHOD SPECIFICATIONS window (Is not select-
able with the CVS and CPVS mode).

5. Click to open the EDIT WORKING METHOD PA-

RAMETERS window.
6. Select the Determination tab (see section 5.2) and enter Sample
identifier, Sample amount, Cell volume and the name and direc-
tory of the determination with the recorded calibration curve in
the Calibration curve field.
7. Close the EDIT WORKING METHOD PARAMETERS window by
clicking <OK>.
8. Place the sample solution in the measuring vessel at the 797
VA Computrace stand.

9. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

10. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
11. Enter the Sample ID (used as part of the determination file
name) in the PLACE SAMPLE window and click <OK>.

8.9 Work with film electrodes

Deposit a mercury film

You find a suitable method for the determination of heavy metals
with mercury film electrodes in Application Bulletins 241 and 254.
1. Polish the glassy carbon (6.1204.110) or Ultra Trace electrode
tip (6.1204.100) with alumina powder (6.2802.000) and put
the electrode into the 797 VA Computrace stand.
2. Put the electrolyte solution into the measuring vessel, e.g.:
Add 10 mL ultrapure water, 200 μL c(HCl) = 6 mol/L) and 50 μg

252 797 VA Computrace – Software

 8.10 Diagnostic procedures

c(Hg(II)) = 1 g/L to the empty measuring vessel at the 797 VA

Computrace stand.
3. Click on MAIN WINDOW / Utility / Film deposition to open the
FILM DEPOSITION window.
4. Enter suitable parameters in the parameter list.
5. Click on the <Start> button.
6. Check the resulting test voltammogram. The voltammogram
should show low noise and a low background current (low μA
range). No interfering peaks should be visible.

Remove a mercury film

Mercury films can be easily wiped off manually with a tissue. The
cleaning procedure can be used instead to remove the mercury film
electrochemically or to clean the electrode surface after having re-
moved the mercury film mechanically.
1. Put the cleaning solution into the measuring vessel, e.g.:
Add 10 mL ultrapure water and 1 mL w(HNO3) = 0.65 to the
empty measuring vessel at the 797 VA Computrace stand.
2. Click on MAIN WINDOW / Utility / Cleaning procedure to open
the CLEANING PROCEDURE window.
3. Enter suitable parameters in the parameter list.
4. Click on the <Start> button.
5. Check the resulting test voltammogram. The resulting voltam-
mogram should show low noise and a low background current
(low μA range). If all mercury had been oxidized, no mercury
peak remains.

8.10 Diagnostic procedures

Check the purging

1. Connect the inert gas to the 797 VA Computrace stand (see
Hardware Manual).
2. Make sure that the inert gas pressure is 1 ± 0.2 bar.
3. Add 20 mL ultrapure water to the empty measuring vessel at
the 797 VA Computrace stand.

4. Click on or MAIN WINDOW / Utility / Computrace control

to open the COMPUTRACE CONTROL window.

5. Select HMDE and click on .

6. Make sure that inert gas bubbles are purging through the solu-
tion.

797 VA Computrace – Software 253

 8 How to ...?

Check the stirring

1. Click on or MAIN WINDOW / Utility / Computrace control

to open the COMPUTRACE CONTROL window.

2. Select HMDE and click on .

3. Change the rotational speed by clicking on the buttons of
the RDE/stirrer speed field.

Check the MME

1. Install the MME at the 797 VA Computrace stand (see Hardwa-
re Manual).

2. Click on or MAIN WINDOW / Utility / Computrace control

to open the COMPUTRACE CONTROL window.

3. Select DME, SMDE or HMDE and click on .

4. Choose Multi-Mode Electrode (MME).
5. Fill the measuring vessel with the specified solution.

6. Press the button.

Check theRDE
1. Install the RDE at the 797 VA Computrace stand (see Hardware
Manual).

2. Click on or MAIN WINDOW / Utility / Computrace control

to open the COMPUTRACE CONTROL window.

3. Select RDE/SSE and click on .

4. Choose RDE/SSE.
5. Fill the measuring vessel with the specified solution.

6. Press the button.

Perform a linearity test with the dummy cell

For testing the linearity of current measurement, the dummy cell of
the 797 VA Computrace stand is used with the test method
Test797_L.mth. Proceed as follows:

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.

3. Click on or MAIN WINDOW / File / Load method.

254 797 VA Computrace – Software

 8.10 Diagnostic procedures

4. Select the method file Test797_L.mth in the OPEN window and

click <OK>. The method is loaded into the WORKING METHOD
SPECIFICATIONS window.
5. Connect the dummy cell at the 797 VA Computrace stand: At-
tach electrode cable AE to clamping screw AE, attach elect-
rode cable RE to clamping screw RE, attach electrode cable WE
to clamping screw WE-L.

6. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

7. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.
8. Enter the Sample ID (used as part of the determination file
name) in the PLACE SAMPLE window and click <OK>.
9. At the end of the measurement, a curve is printed out. This
curve should satisfy the following conditions:
• The plotted diagonal must be straight.
• At -200 mV, the current should be -1.6…-2.4 μA.
• At +200 mV, the current should be +1.6…+2.4 μA.

Perform a peak test with the dummy cell

For testing the peak measurement, the dummy cell of the 797 VA
Computrace stand is used with the test method Test797_D.mth.
Proceed as follows:

1. Click on or MAIN WINDOW / Mode / Determination.

2. Click on or MAIN WINDOW / Window / Working method

specification to open the WORKING METHOD SPECIFICATIONS
window.

3. Click on or MAIN WINDOW / File / Load method.

4. Select the method file Test797_D.mth in the OPEN window and
click <OK>. The method is loaded into the WORKING METHOD
SPECIFICATIONS window.
5. Connect the dummy cell at the 797 VA Computrace stand: At-
tach electrode cable AE to clamping screw AE, attach elect-
rode cable RE to clamping screw RE, attach electrode cable WE
to clamping screw WE-D.

6. Click on or MAIN WINDOW / Window / Monitor to open

the MONITOR window.

7. Start the measurement by clicking the icon in the MAIN

WINDOW or the button in the MONITORING win-
dow.

797 VA Computrace – Software 255

 8 How to ...?

8. Enter the Sample ID (used as part of the determination file

name) in the PLACE SAMPLE window and click <OK>.
9. At the end of the measurement, a curve is printed out. This
curve should satisfy the following conditions:
• A symmetrical, gaussian-shaped peak should be plot-
ted. The evaluation must provide a result for the peak
voltage and the peak current, which are printed out
in the full report.
• The peak voltage E should be -450 … -550 mV.

Perform a GLP Validation

The GLP validation is performed with the GLP Wizard (see section
2.7, GLP Wizard) . To start it, click on the GLP tab of
the GENERAL SETTINGS window.
.

256 797 VA Computrace – Software

 9.1 General procedure for error messages

9 Troubleshooting
9.1 General procedure for error messages
Error messages and warnings are displayed in the CT797 window.
Read the information about the possible causes and the procedure
for their rectification and click the <OK> button.

9.2 Connection problems

Error message "Could not start the embedded system"

If this error message appears after starting the VA Computrace pro-
gram, the USB connection has not established. Possible solutions:
1. Switch on the 797 VA Computrace stand.
2. If the Computrace is on, try to restart the software.
3. If 1.) and 2.) were not successful: Close the software, switch off
the 797 VA Computrace stand, wait a moment, then restart
797 VA Computrace stand and software.

9.3 Software problems

Error message "Name or password incorrect"

If the login fails because no password is known any more, proceed
as follows:
1. Deinstall the software (see Deinstallation, section 1.3).
2. Reinstall the software.

Error message "The file 'ecousb.sys' is needed"

This message indicates problems with the USB connection. Proceed
as follows:
1. Insert the installation CD into the CD drive.
2. Click on <Browse>. Select the CD drive and click on <OK>.

Wrong language in Help

If you want to change the help language, reinstall the software us-
ing the Modify option and select the desired language.

797 VA Computrace – Software 257

 9 Troubleshooting

Error message "Please select a new database file"

If you work with the new program version «797 VA Computrace
Software 1.3.x» and try to export to a database created with an old
program version «797 VA Computrace Software 1.X», following er-
ror message appears.
"The selected database file was created with a previous version of
CT797. The data cannot be written to this database.
Please select a new database file".
Reason for this error is that the file structure of the Version w1.3.x
differs from the file structur of the previous versions 1.X.
Close the autodatabase, and confirm the error message with <OK>.
The window SELECT DETERMINATION DATABASE FILE opens.
Choose a database created with Version w1.3.x, or create a new
one by entering a new name and clicking <Open>.

9.4 Dosing Device problems

Dosing Device does not work

1. Check the connecting cable between Dosing Device and 797
VA Computrace stand resp. the 846 Dosing Interface.
2. Click on MAIN WINDOW / Settings / General settings and check
the entries on the Dosinos / Dosing Interface tab of the GENE-
RAL SETTINGS window (see Installation of Dosing Devices, sec-
tion 1.3).

3. Click the button .

4. Select Automatic for Addition in the WORKING METHOD SPECI-
FICATIONS window.
5. Activate the Dosing Device in the DOSINO window for every
method used (see Dosing Devices, section 5.2).
6. Check the solution number No. on the Substances tab of the
EDIT WORKING METHOD PARAMETERS window. The number
defined in the No. field of the Substances tab of the EDIT WOR-
KING METHOD PARAMETERS window should correspond with
the number of the Dosing Device used for the addition of this
substance.

Irreproducible standard additions with a Dosing Device

1. Click on or MAIN WINDOW / Utility / Dosino control to

open the DOSINO CONTROL window (see Dosino control win-
dow, section 7.2).
2. Check if there are air bubbles left in the glass cylinder of the
dosing unit. If this is the case, press button .
3. Close the DOSINO CONTROL window.

258 797 VA Computrace – Software

 9.5 General rules for VA trace analysis

4. Check the Dose rate parameter on the Dosinos tab. The default
dosing rate for use of the 6.1824.000 4-way microtip is 2
mL/min.

9.5 General rules for VA trace analysis

Chemicals and equipment

1. The purity of the reagents plays an important role in determin-
ing the results. Extremely pure chemicals should be used for de-
termining lower concentrations (see VA Application Note V-49).
2. Measuring vessel, electrodes and all other equipment in con-
tact with the sample solution must be clean and free of con-
tamination substances.

Electrolytes
1. The pH during a determination plays an important role (e.g. for
Zn, Cd, Pb, Cu it should be approx. 4.5). Acetate, Ammonium
acetate or PIPES buffer are often used. For more information
see the Application Bulletins.
2. The electrolyte must be sufficiently conductive and concen-
trated.
3. The purity of the electrolytes and the cleanliness of the reagent
bottles is very important.
4. The working life of the electrolytes is limited, particularly for
organic additives (buffer substances, complex formers). It may
be necessary to make up fresh solutions every day.

Standard solutions
1. The standard solutions should be made acidic (approx. pH =
1…2) and stored in plastic bottles.
2. Diluted standard solutions (ppb range) are very unstable and
must be freshly made. They must also be made sufficiently aci-
dic.
3. The concentration of the standard solutions must be arranged
so that a volume between 20 and 500 μL has to be added.
4. Standard additions are recommended. The peak height after
the last addition should be 2…5 times higher than the sample
peak.
5. 1000 ppm solutions (self-made or commercially available) are
often used as stock solutions. They are stable over long periods
of time. Dilutions have to be made with dilute acids.

797 VA Computrace – Software 259

 9 Troubleshooting

Samples
1. The amount of sample depends on the concentration of the
element to be determined.
2. If the sample matrix is known, a better assessment of the
analysis can be made (organic components?).
3. A digestion must be carried out on contaminated samples and
on samples where contamination is suspected (see Metrohm
Monograph «Sample preparation for techniques in voltam-
metric trace analysis»).
4. A lot of errors are made during sampling and when storing the
sample. Caution and a critical approach are required.
5. The sample should have a good solubility in the electrolyte and
be mixable with it.

Blank values, contamination

The following points should be checked if the results are too
high:
1. Have the dilutions been made correctly?
2. Have contamination risks been excluded?
3. Contamination risks are very high at low concentrations:
measuring vessels should be conditioned with dilute HNO3 so-
lution.
4. Are the chemicals pure enough?
"Suprapure" grade reagents should be used at low concentra-
tions.
5. Very high concentrations were measured in the previous analy-
sis:
electrodes and measuring vessels must be carefully cleaned and
conditioned (memory effects).
6. Has the standard addition been carried out properly?
Was the volume set correctly on the pipetting unit?
The following points should be checked if the results are too
low:
1. Concentration too high?
HMDE overloaded, use DME/SMDE instead?
2. Buffer not correct?
Make up new one if necessary.
3. Addition ratio too low?
4. Addition ratio too high?

Selection of VA Measurement mode

The following points should be considered by selecting the VA
measurement mode:

260 797 VA Computrace – Software

 9.5 General rules for VA trace analysis

1. DP (Differential Pulse) should always be the first choice. It is

the most universal and frequently used voltammetric determi-
nation method and is equally well suited for reversible and irre-
versible systems. It offers a high sensitivity down to 10–8 mol/L
and a separation ability of 1:50'000.
2. DC (Direct Current) is the classic, simplest VA method with limi-
ted sensitivity (down to 10-5 mol/L) and a separation ability of
only 1:10. It is mainly used in teaching labs, for the clarification
of reduction/oxidation processes and for stripping voltammetry.
In determination mode DC can only be used with stationary
electrodes (HMDE, RDE).
3. NP (Normal Pulse) is the classic pulse voltammetric VA method
with direct recording of the current. It is equally well suited for
irreversible and reversible systems and offers a higher sensitivity
than the DC voltammetry. The NP mode can only be used in
the exploratory mode.
4. AC1 (Alternating Current, 1st harmonic) is primarily suitable for
determinations based on reversible redox reactions and is virtu-
ally completely insensitive to irreversible reactions.
5. AC2 (Alternating Current, 2nd harmonic) also primarily suitable
for determinations based on reversible redox reactions. Compa-
red with the AC1 measurements, an increase in sensitivity, re-
solution and separation efficiency is often obtained.
Note: To measure in the AC2 mode, choose AC – Alternating
Current Voltammetry as Mode in the WORKING METHOD SPECI-
FICATION window, click and check the checkbox
2nd harmonic on the Voltammetric tab of the EDIT WORKING
METHOD PARAMETERS window.

6. SqW (Square Wave) is primarily suitable for investigations of

reversible electrode processes and kinetic studies. It is used par-
ticularly for sensitive stripping voltammetric determinations at
the HMDE or RDE.
7. PSA (Potentiometric Stripping Analysis) is mainly used to de-
termine metal traces in aqueous solutions contaminated with
organic matter by means of mercury film electrodes without
prior digestion. Only analytes that form an amalgam can be
analyzed.
8. CCPSA (Constant Current Potentiometric Stripping Analysis) is
mainly used to determine substances in aqueous solutions con-
taminated with organic matter using mercury film electrodes or
rotating precious metal electrodes without prior digestion.
9. CV (Cyclic Voltammetry) is mainly used to investigate electrode
processes and for kinetic studies.
10. CVS (Cyclic Voltammetric Stripping) is mainly used for the de-
termination of organic additives in electroplating electrolytes.

797 VA Computrace – Software 261

 9 Troubleshooting

11. CPVS (Cyclic Pulse Voltammetric Stripping) is mainly used for

the determination of organic additives in electroplating elec-
trolytes. CPVS is a chronoamperometric mode, current is meas-
ured against time.

9.6 Voltammetric problems

Low background current or unstable baseline

With all types of electrodes:
1. Check electrolyte concentration and pH of the solution.
2. Check Start potential and End potential of the sweep.
3. If the ion concentration in the solution is too high: dilute the
electrolyte.
4. Has the sample been degassed? Degassing with nitrogen for at
least 5 min is recommended, for alkaline solutions approx. 10
min is recommended.
5. Is the reference electrode sufficiently full (inside and outside,
see Hardware Manual)?
6. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.
With DME/SMDE:
1. If the electrode drops irregularly: check the MME.
Adjust sealing needle. If necessary, change capillary and replace
sealing needle (see Hardware Manual).
2. Check tapping mechanism on VA Stand. If tapping strength is
too weak, turn corresponding slotted screw on the valve block
during operation in an anticlockwise direction until a drop falls
each time the tapper is triggered (see Hardware Manual).
3. Is the gas pressure correctly set (1 bar)?
4. If the concentration to be determined is considerably lower
than expected: increase sample volume or change the elec-
trode mode (e.g. HMDE).
With HMDE:
1. If the electrode drops or the drops do not remain hanging:
check the MME. Change capillary and replace sealing needle
(see Hardware Manual).
2. If the concentration to be determined is considerably higher
than expected: reduce sample volume or change the electrode
mode (e.g. from HMDE to SMDE or DME).
With RDE/SSE:
1. The electrode surface must be repolished.
2. Has the correct RDE type been used?

262 797 VA Computrace – Software

 9.6 Voltammetric problems

3. Exchange the RDE.

4. Has the electrode been conditioned (e.g. by using Conditioning
cycles and Cleaning potential) ?
5. If the concentration to be determined is considerably higher
than expected: reduce sample volume.
6. The background current is normally higher if RDE is used in
place of MME; a background current of several 100 nA is pos-
sible.

Curves with high noise

Did you work in the SqW mode (if yes, see SqW Problems, section
9.6)? If not:
With all MME types:
1. Adjust sealing needle.
2. Change capillary and replace sealing needle (see Hardware
Manual). If necessary, clean the MME (see Hardware Manual).
3. Check tapping mechanism on stand. If tapping strength is too
weak, turn corresponding slotted screw on the valve block dur-
ing operation in an anticlockwise direction until a drop falls
each time the tapper is triggered (see Hardware Manual).
4. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.
With DME/SMDE:
1. If the electrode drops irregularly: check the MME.
Adjust sealing needle. If necessary, change capillary and replace
sealing needle (see Hardware Manual).
2. If the electrode drops much too quickly: increase the Voltage
step time on the Voltammetric tab of the EDIT WORKING MET-
HOD PARAMETERS window.
With HMDE:
1. If the electrode surface is overloaded: check deposition poten-
tial and time.
2. If no drops are at the capillary: change the capillary and replace
sealing needle (see Hardware Manual).

SqW Problems
In order to get good results for measurements in the “Square
wave” mode, the auto current range feature of the potentiostat
should not be used. The potentiostat parameters Highest current
range and Lowest current range should be set on the same level.
Finding the optimal current level needs trying. It should be as small
as possible, but larger than the expected maximum peak (to mini-
mize noise and not disturb the peak shape).

797 VA Computrace – Software 263

 9 Troubleshooting

Example:
(For all measurements: Amplitude: 0.02 V , Frequency: 50 Hz)
Highest current range: 10 nA
Lowest current range: 10 nA
Zn/Cd/Pb/Cu-Determination/DIN-Puffer/SqW
Test Si_kap_nullserie
180n

Cd

160n
Cu

Pb
I (A) Zn

140n

120n

-1.00 -0.80 -0.60 -0.40 -0.20 0.00

U (V)

Highest current range: 1 μA

Lowest current range: 1 μA
Zn/Cd/Pb/Cu-Determination/DIN-Puffer/SqW
Test Si_kap_nullserie
120n

Zn

100n

80.0n
Cd
I (A)

60.0n

Cu
Pb
40.0n

20.0n

0
-1.00 -0.80 -0.60 -0.40 -0.20 0.00
U (V)

Highest current range: 10 μA

Lowest current range: 10 μA
Zn/Cd/Pb/Cu-Determination/DIN-Puffer/SqW
Test Si_kap_nullserie
120n

Zn
100n

80.0n
Cd

60.0n
I (A)

Cu
40.0n Pb

20.0n

-1.00 -0.80 -0.60 -0.40 -0.20 0.00

U (V)

Standard addition curves are not reproducible

With all types of electrodes:
1. Check method parameters (stirring time, etc.).

264 797 VA Computrace – Software

 9.6 Voltammetric problems

2. Check and test the pipetting process: Pipetting the standard so-
lutions must be carried out by one and the same person or with
the same instrument or the same pipette. Was the pipetting
unit used properly? When were the pipettes last calibrated
(GLP)?
3. Organic components interfere with the analysis: carry out a UV
digestion or other suitable sample preparation.
4. Are the calibration solutions too old?
5. Would a calibration curve be more suitable?
With MME:
1. Check the MME, change capillary if necessary and replace sea-
ling needle (see Hardware Manual).
2. The linearity at the HMDE is naturally not as good as with the
DME. The linear range is in general no larger than 1 - 2 dec-
ades.
With RDE/SSE:
1. Check the RDE (see Hardware Manual).

Peak displacement
1. Check and adjust the pH of the solution.
2. Check electrolyte composition and correct if necessary. Use a
buffer solution instead of an acid.
3. Carry out a standard addition to check whether the correct
peak has been evaluated.
4. Organic components interfere with the analysis: carry out a UV
digestion or other suitable sample preparation.
5. Enter a new half-wave potential in the instrument and recalcu-
late the results.
6. Check reference electrode (see Hardware Manual).
7. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.

No peak found
With all types of electrodes:
1. The peak is only displaced: adjust the half-wave potential and
recalculate the results.
2. The sample concentration is too low: increase the sample volu-
me or the amount of sample.
3. Are the Start potential and End potential correct?
4. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.

797 VA Computrace – Software 265

 9 Troubleshooting

5. Are organic components present? Carry out a UV digestion or

other suitable sample preparation.
With DME/SMDE:
1. The concentration of the ion to be determined is too low: use
HMDE (stripping voltammetry) instead of DME or SMDE.
With HMDE:
1. Has the complexing agent been forgotten? (adsorptive strip-
ping voltammetry).
2. The Deposition time in the inverse voltammetry is too short: in-
crease the time on the Voltammetric tab of the EDIT WORKING
METHOD PARAMETERS window.
3. No Hg drops at the capillary: check MME. Adjust sealing nee-
dle. If necessary, change capillary and replace sealing needle
(see Hardware Manual).
With RDE/SSE:
1. The background current is too high: try to improve the back-
ground current by electrochemical conditioning. If, necessary,
repolish the electrode. Polishing is only recommended, if elec-
trochemical treatment does not improve the performance of
the electrode
2. The Deposition time in the inverse voltammetry is too short: in-
crease the time on the Voltammetric tab of the EDIT WORKING
METHOD PARAMETERS window.

Peak is in the highest μA range

With all types of electrodes:
1. The concentration of the ion to be determined is too high: re-
duce the sample volume and carry out the analysis again.
With HMDE:
1. The Deposition time is too long: Reduce the time.
2. If necessary use a SMDE or DME electrode instead of HMDE.
With RDE/SSE:
1. The background current is too high: repolish the electrode.
2. The Deposition time is too long: reduce the time.
3. Is the Deposition potential correct?

Double peak
With all types of electrodes:
1. Organic components interfere with the analysis: carry out a UV
digestion or other suitable sample preparation.
2. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.

266 797 VA Computrace – Software

 9.6 Voltammetric problems

3. If a second element is present at the same potential: add this

element to the sample and carry out the analysis again. If the
second peak has become higher then the second element is
present. Might it be possible to selectively mask this second
element with a complexing agent?
4. For Cu: work without chlorides in the electrolyte or increase the
chloride concentration massively.
5. Has any substance formed a precipitate in the measuring vessel
(e.g. lead perchlorate standard with KCl as electrolyte)?
6. Try out eluents with different compositions (addition of comp-
lexing agents).
7. Check method parameters.
8. Try another measurement mode like AC1. If one substance is
reversible and the second one irreversible, only the reversible
substance is detected by AC1.
With MME:
1. Check MME. If necessary, change capillary and replace sealing
needle (see Hardware Manual).
With RDE/SSE:
1. Check RDE and polish if necessary (see Hardware Manual).

Standard addition peaks displaced

With all types of electrodes:
1. Standard solutions have been made too acidic.
2. Buffering capacity of the electrolyte is not sufficient: increase
electrolyte volume.
3. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.
With HMDE:
1. If HMDE is used potential displacements of more than 20…30
mV are often normal and have to be accepted; particularly in
adsorptive stripping voltammetry.
With RDE/SSE:
1. Electrode surface overloaded: reduce sample volume.

No addition
With all types of electrodes:
1. Has the correct standard solution been used or is the concen-
tration of the solution too low: increase the volume of the
standard addition solution or use a higher concentration or re-
duce the sample amount accordingly.

797 VA Computrace – Software 267

 9 Troubleshooting

2. If organic components are present: carry out a UV digestion or

other suitable sample preparation.
3. Concentration of the analyte is too high: dilute.
4. Electrolyte solution too old: make up a new one. Its working
life with organic additives may be as short as 1 day or less.
With HMDE:
1. Standard addition solution containing metal complexing agents
need time to form the metal complex.

Spikes / signal jump in voltammogram

1. For MME: check the electrode.
2. Reduce the dynamic range of the potentiostat (see Potentio-
stat, section 3.3).

Oxygen interference
Oxygen can be electrochemically reduced and produces two waves
in the voltammogram, one of which is characterized by the ap-
pearance of a pronounced maximum. The oxygen reduction can
interfere for two reasons:
• The signals of the analytes are masked by the oxygen waves.
This becomes noticeable primarily in trace analysis as the oxy-
gen is present in a relatively high concentration in solutions
saturated with air (ca. 8 mg/L at room temperature).
• The hydrogen peroxide formed in the first step of the oxygen
reduction can react further with certain substances.
For these reasons, oxygen must be removed from the analysis solu-
tion before the polarographic analysis by saturation with inert gas
(usually nitrogen). With the inert gas flow rate of ca. 20 L/h set on
the 797 VA Computrace stand in the factory, a purging time of
3...5 min usually suffices.
Compare the curves (0.1 mol/L KNO3) before and after purging:
Before purging (Still oxygen in the solution):

268 797 VA Computrace – Software

 9.6 Voltammetric problems

After Purging (oxygen removed from solution):

Unsuitable bridging electrolyte in the reference electrode

When choosing the bridging electrolyte in the reference electrode,
possible complications with the substances present in the analysis
solution must be taken into account.
With regard to the bridging electrolyte solution KCl 3 mol/L used
in many cases, the following are examples of disturbances which
can appear:
• Precipitation of KClO4 in the ceramic diaphragm
with supporting electrolytes containing HClO4
With partial blockage, inexplicable side peaks can appear. To
avoid such precipitations, with analysis solutions containing
HClO4 a bridging electrolyte solution free from potassium (e.g.
NaCl 3 mol/L) must be used.
• Introduction of chloride through KCl outflow from
the reference electrode
The outflow of bridging electrolyte from the ceramic dia-
phragm of the 6.1245.010 Electrolyte vessel (part of the refer-
ence electrode) is 2...5 μL/h. The chloride Cl– flowing into the
analysis solution can interfere with the determination of vita-
min C or the determination of Cu (see also Complex formation,
section 9.6). The use of chloride Cl– free bridging electrolyte so-
lutions (e.g. KNO3 sat.) is recommended as a countermeasure.

Overloading of the working electrode

Under unfavorable conditions (high concentrations and/or long
deposition times), the deposition of species at polarized electrodes
leads to overloading phenomena such as non-linear standard addi-
tion curves or splitting into multiple peaks which are caused by
saturation and different deposition forms.
A shorter deposition time usually solves the problem. The fol-
lowing rule of thumb holds: In general, deposition should not be
carried out except in solutions with a mass concentration ρ < 0.5
mg/L (= 0.5 ppm). In several cases work can be carried out without

797 VA Computrace – Software 269

 9 Troubleshooting

deposition even with concentrations ρ > 100 μg/L (e.g. DP voltam-

metry at the HMDE or also at the DME).
The effects of a deposition time which is too long are shown by the
following two examples:

• Nickel and cobalt determination in the trace region

by cathodic adsorption stripping voltammetry (with
dimethylglyoxime complexes)
Prolongation of the deposition time from 30 s to 120 s (kee-
ping all other measurement parameters constant) leads to non-
linear standard additions and in the case of nickel also to shifts
in the peak maximum:
Deposition time: 30 s Deposition time: 120 s
Ni
Co

Ni

Co

Analysis solution: 20 μg/L Ni; 20 μg/L Co

Supporting electrolyte: 0.1 mol/L NH4Cl/NH3; pH = 9.3
-4
5⋅10 mol/L dimethylglyoxime (DMG)
Standard addition: with 200 ng Ni / 200 ng Co
Electrode: HMDE

• Mercury determination at the gold electrode

On prolongation of the enrichment time from 30 s to 240 s,
side peaks appear during standard addition:
Enrichment time: 30 s Enrichment time: 240 s

270 797 VA Computrace – Software

 9.6 Voltammetric problems

Hg

Hg

Analysis solution: 100 μg/L Hg

Supporting electrolyte: HClO4/HCl
Standard addition: with 1 μg Hg
Electrode: Au-RDE

Disturbances at the HMDE through gas formation

Gas formation at the HMDE during the deposition phase can lead
to drop fall or to a contact break in the Hg capillary. The following
example illustrates such a case:

• Determination of zinc in deionised water

If the zinc sample is acidified to pH 2 with HClO4 or another
acid, hydrogen is also formed at the voltage selected for en-
richment. In the present example this leads to premature re-
lease of an Hg drop in the 2nd standard addition thus making
an evaluation impossible. If acetate buffer (pH = 4.64) is used,
no such difficulties arise. However, a requirement for this is
that chemicals of the highest purity are used to keep the zinc
blank value as low as possible (it is advisable to prepare the
acetate buffer using ultrapure ammonia and ultrapure acetic
acid).
Supporting electrolyte: Supporting electrolyte:
0.01 mol/L HClO4; pH = 2 acetate buffer pH = 4.64
Zn Zn

797 VA Computrace – Software 271

 9 Troubleshooting

Analysis solution: deionised water

Standard addition: with 50 ng Zn
Electrode: HMDE (enrichment 60 s at –1.2 V)

Complex formation
Substances determined polarographically can occur in various com-
plexed forms, depending on the composition of the analysis solu-
tion. As complexing is always associated with a shift in the half-
wave potential and the limiting current, difficulties can arise in the
peak evaluation. Such difficulties must be eliminated by appropriate
changes in the composition of the supporting electrolyte.
If it is not possible to remove the interfering complexing agents
from the analysis solutions or to mask them by suitable substances,
it is often helpful to change the pH of the supporting electrolyte.
Another measure that is often used involves the addition of a
ligand of high complexing power (e.g. EDTA) to bring about 100%
change of the analyte to a definitive form. The latter possibility is
also used in the following example:
• Copper determination in chloride-containing solutions
Copper can occur in chloride-containing solutions as both a
CuCl42– and a CuCl2– complex. The two associated current
peaks are near each other. In unfavourable cases, the determi-
nation of copper is not possible. The difficulties disappear after
addition of the complexing agent EDTA as now all copper is
completely in the form of a Cu-EDTA complex. (Increasing the
chloride concentration [e.g. by addition of 1 mL of a 1.5 mol/L
KCl solution of the greatest possible purity per 10 mL analysis
solution] would also give a clearly defined current peak for
CuCl2–.)
Supporting electrolyte: Supporting electrolyte:
without EDTA with EDTA (0.001 mol/L)

272 797 VA Computrace – Software

 9.6 Voltammetric problems

2–
CuCl4

– CuEDTA
CuCl2

Analysis solution: 25 μg/L Cu; 10 μL HCl 30%

Standard addition: with 250 ng Cu
Electrode: HMDE (enrichment 90 s at –600 mV)

Peak on highly curved baseline

If peaks lie on a highly curved baseline, the first attempts at rectifi-
cation should involve chemical or measurement technique coun-
termeasures to eliminate the adverse effect on the peak evaluation
due to the highly curved baseline. Such measures include longer
purging times (see Oxygen interference, section 9.6), changing the
pH value, changing the supporting electrolyte concentration, modi-
fying or changing the supporting electrolyte, use of complexing
agents (see Complex formation, section 9.6), longer deposition
times and changing the measurement technique.
If the curvature of the baseline can not or only partially be elimina-
ted by the above measures, the 797 VA Computrace offers the pos-
sibility to approximate a curved baseline by selecting Polynomial or
Exponential for the baseline Type (see Baseline, section 5.2).
A further possibility to evaluate peaks on curved baselines involves
the background subtraction after measuring a blank solution, in
particular when the curved baseline can be clearly attributed to the
supporting electrolytes (see Determination, section 5.2).

Peak overlapping
If the peak overlapping has reached a critical level at which the cal-
culated peak height or peak area is falsified by the neighboring
peak, it is advisable to take the overlapping into account by a
change in the baseline calculation. For this, select the Front end or
Rear end option for the baseline Scope (see Baseline, section 5.2).

797 VA Computrace – Software 273

 9 Troubleshooting

If the overlapping is too large, the peak can no longer be evalua-

ted. In this case chemical or measurement technique countermea-
sures must be used to attempt to separate these peaks better. Pos-
sible measures include changing the pH value, changing the sup-
porting electrolyte concentration, changing the supporting elect-
rolyte, use of complexing agents (see Complex formation, section
9.6), longer deposition times and modifying or changing the
measurement technique.

• Determination of lead and thallium

With a supporting electrolyte of pH = 1, Pb and Tl peaks over-
lap greatly. Changing the pH to 13 separates the two peaks.
(The separation of lead and thallium can also be achieved by
subsequent electrolysis or in acetate buffer with EDTA).
Supporting electrolyte: Supporting electrolyte:
pH = 1 pH = 13
Pb

Tl

Analysis solution: 0.5 mg/L Pb; 1 mg/L Tl

Standard addition: with 10 μg Pb and 10 μg Tl
Electrode: SMDE

Calibration with chemically non-isoformal standards

With all possible Calibration techniques, it must be ensured that the
standards used for calibration are chemically isoformal with the
analytes. The standard substances must therefore have the same
valency (e.g. with Fe, Al) or complex formation form (e.g. with As,
Cr, Se) as the substances already present in the analysis solution. If
this is not the case the calibration can produce completely wrong
results owing to the different peak voltages and sensitivities.

Results not reproducible

Voltammetric measurements (including CVS and CPVS!) strongly
depend on the temperature.

274 797 VA Computrace – Software

 9.6 Voltammetric problems

To get reproducible results, the following points have to be consid-

ered:
• Avoid strong temperature fluctuations in the laboratory.
• Do not place the instrument directly below an air condi-
tioning outlet.
• If required, use a thermostatic measuring cell with connec-
tion to a thermostat/cryostat.

797 VA Computrace – Software 275

 Software license

Software license

The use of the Software is subject to this License Agreement be-

tween you and Metrohm AG. With the offer, you have received this
License Agreement and taken note of it. You have already accepted
this License Agreement upon the placement of your order with
Metrohm AG or one of its distributors or upon confirmation of the
order by Metrohm or one of its distributors. At the very latest, you
agree to be bound by the terms of this License Agreement when
you start using the Software.

1. Metrohm grants you the non-transferable and non-exclusive

right to use this Software in connection with Metrohm analysis
devices.
2. The copyright to the Software is retained by Metrohm or a
licensor of Metrohm. You are not permitted to alter or remove
any notes regarding confidential handling, indications of title
or indications of copyright. You are not permitted to sell the
Software, lease it to or otherwise pass it on to third parties, ex-
cept in conjunction with its use with analysis devices of the
Metrohm Group and if the third party expressly agrees to the
terms of this License Agreement. It is not permitted to change
or copy the Software in its entirety or in part. It is only permis-
sible to make one copy for backup purposes.
3. The license fee for the above use is included in the sales
price of the analysis device. If the software is supplied sepa-
rately, the fee is billed along with the Software. If for any rea-
son the sales price or the license fee is not paid in full by the
due date, the right to use the Software lapses and Metrohm is
entitled to demand the return of the Software or its deletion
from your system.
4. Metrohm warrants that the Software is suitable for the indi-
cated use with analysis devices of the Metrohm Group if pro-
perly operated and that the Software is properly stored on the
data carrier. If this is not the case, you are entitled to demand
that Metrohm and/or its distributor provide you with a new
flawless Software in exchange for handing in the Software you
have complained about. This warranty applies to initial opera-
tors of the Software only.
5. Metrohm and its distributor disclaim all other warranties
and liability. In particular, Metrohm and its distributor assume
no liability for third-party damage or consequential damage,
loss of data, lost profits, interruption of business, etc.

276 797 VA Computrace – Software

 Software license

6. This Agreement applies until it is terminated. You can ter-

minate this Agreement by destroying the Software and every
copy of it. The Agreement is also deemed terminated if you
violate any of its terms, in which case you are also obligated to
destroy the Software and every copy of it, whereby Metrohm is
also entitled to explicitly demand this of you.
7. Any changes and amendments to this Agreement must be
rendered in writing to attain validity. This stipulation requiring
written form also applies to a change in this provision. If parts
of this Agreement prove to be null and void or legally ineffec-
tive now or in the future, the remainder of the Agreement con-
tinues to apply. The Agreement must then be interpreted and
applied so that the intended purpose of the ineffective section
is nevertheless achieved to the greatest extent possible.
Venue: Any disputes arising from this Agreement shall be decided
by the courts at the location of the registered office of Metrohm
AG. Metrohm is also entitled to demand that the venue be the lo-
cation of the defendant's registered office.

797 VA Computrace – Software 277

 Declaration of conformity – Software validation

Declaration of conformity – Soft-

ware validation
The software "797 VA Computrace" was developed in accordance
with the requirements of the ISO 9001 quality system regarding the
design, testing and servicing of Metrodata software. The relevant
procedures are described in the document "Project procedure for
creating Metrodata software" which is available at your Metrohm
agency on request.
The software was validated with respect to functionality, analytical
performance and accuracy of results. The technical specifications
and software functions are described in the Instructions for Use.
Herisau, 08. June 2007

D. Strohm Ch. Buchmann

Vice President Production and

Head of R&D Quality Assurance Manager

278 797 VA Computrace – Software

 Index

Index
Brightener Analysis with 838 Advanced Constant Current Potentiometric
8 Sample Processor and LAT
Operating sequence ................... 228
stripping analysis.............................. 51
Contamination ............................... 260
838 Advanced Sample Processor Content calculation ........................ 142
method for trace analysis ........... 216
Operating sequence for Brightener C Context sensitive menus..................... 8
Analysis with .............................. 224 Calculation ....................... 99, 100, 149 Continue determination ................. 110
Operating sequence for Brightener Calculations tab ............................. 123 Continue measurement .................... 74
Analysis with LAT ....................... 228 Copy
Operating sequence for Suppressor Calibration
Calibration technique ......... 132, 142 Copy parameters from determination
Analysis.............................. 234, 239 methods..................................... 210
Perform determinations.............. 215 Identification.............................. 116
Mode selection .................... 89, 122 Copy parameters from signal files210
863 Compact VA Autosampler Printing of calibration curves ...... 137 Copy parameters to working method
Perform determinations.............. 214 .................................................. 120
Calibration curve Copy text to clipboard................ 133
Automatic recording .................. 251 Copy to clipboard..... 77, 81, 84, 118,
A Calculation ................................. 145 127
Copy .......................................... 127 Graphics..................................... 127
Absolute substance amount ........... 131 Export ........................................ 127
AC............................................ 53, 261 Graphical properties ................... 127 Could not start the embedded system
Manual recording with solution ...................................................... 257
Add Bath Solution .......................... 113
exchange ................................... 250 Coulometric ..................................... 97
Added amount............................... 131
Manual recording without solution CPVS ........................................ 57, 262
Addition purge time ......................... 92
exchange ................................... 248 Creator............................................. 18
Addition volume....................... 96, 103 Mode selection ............................ 89
Current leaps.................................... 59
Administrator................................... 18 Printing ...................................... 137
Rules .......................................... 148 Curve properties............................... 67
Alternating current voltammetry ...... 53
Sample measurement................. 252 Curve window elements................... 64
Amplitude .................................. 43, 54
Calibration data ............................. 132 Curved baseline.............................. 273
Analist.............................................. 18
Carbon electrodes ............................ 62 Curves with high noise ................... 263
Analyze Electroplating Bath Solutions
...................................................... 218 CCPSA...................................... 51, 261 CV............................................ 48, 262
Area........................................... 81, 97 Cell purge time................................. 92 CVS .......................................... 55, 262
Auto scaling ..................... 76, 111, 126 Cell volume .............. 92, 130, 135, 143 Cyclic Pulse Voltammetric Stripping.. 57
Automatic addition of solutions107, 205 Change labels................................... 77 Cyclic Voltammetric Stripping........... 55
Automatic documentation printout 104 Change user rights ......................... 206 Cyclic voltammetry ........................... 48
Automatic peak evaluation......... 79, 98 Charge ............................................. 82
Automation...................................... 25 Check
Check the MME ......................... 254
D
Autosampler Data acquisition ............................. 138
Installation ..................................... 4 Check the purging...................... 253
Check the RDE ........................... 254 Data processing and evaluation...... 138
Auxiliary solution............................ 108 Check the stirring ....................... 254 Data transfer .................................. 138
Axis properties ................................. 65 Chemicals....................................... 259 Database Export/Import ................... 13
Axis text style ................................... 66 Cleaning Database settings............................. 33
Cleaning potential .......... 60, 62, 204 DC............................................ 44, 261
B Cleaning procedure ...... 16, 203, 253
Cleaning solution ............... 203, 253 Declaration of conformity............... 278
Background color............................. 65 Cleaning time............... 63, 203, 204 Define a new user .......................... 206
Background compensation92, 139, 211 Clear .......................................... 80, 84 Deinstallation ..................................... 6
Base point.................... 80, 82, 98, 125 Clear signal curves............................ 77 Demo version ..................................... 2
Base potential .................................. 47 Closing of program windows ........... 34 Deposition
Baseline Closing the VA Computrace program11 Deposit a mercury film ............... 253
Baseline calculation .............. 82, 141 Deposition potential . 50, 60, 62, 202
Colors .................................. 65, 68, 69 Deposition time.............. 50, 63, 202
Baseline parameters ....... 80, 98, 125
Comment............................... 104, 137 Derivative ................................... 81, 97
Baseline properties ..................... 127
Baseline scope.. 80, 82, 98, 125, 141 Comments ..................................... 132 Determination
Baseline type.... 80, 82, 98, 125, 141 Compact VA Autosampler 863 Automatic saving ....................... 212
Batch ............................................... 89 Installation ..................................... 4 Calculations tab.......................... 123
Batch solution exchange ................ 117 Complex formation ........................ 272 Continue .................................... 110
Computrace control ................. 16, 197 Determination file name............. 130
Batch with solution exchange .. 89, 117
Determination files ....................... 12
Begin ......................................... 80, 82 Concentration ................................ 131
Determination tab ...................... 123
Concentration of addition solution96
Blank................ 92, 111, 139, 211, 260 Edit addition parameters ............ 124
Concentration of calibration solution
Blank curve porperties.................... 127 Edit method parameters............. 121
.................................................. 103
Blank purge time.............................. 92 Export determination points ......... 12
Concentration of solution........... 103
File name ... 111, 112, 113, 114, 115,
Border color ..................................... 65 Concentration unit ..................... 103
116
Borders ............................................ 65 Conditioning .................... 62, 202, 204 Hold ........................................... 110
Brightener Analysis with 838 Advanced Conditioning cycles .......................... 60 Load determination...... 12, 118, 212
Sample Processor and .................... 224 Conformity..................................... 278 Message windows...................... 111

797 VA Computrace – Software 279

 Index

Mode selection .............................16 Substances tab ...........................177 MTH files ....................................3, 7

Monitor ......................................110 Voltammetric tab........................176 SIG files ..........................3, 7, 72, 75
Perform determination ...............212 DT Suppressors with calibration curve SPT files ..........................................7
Printing.......................................218 .......................................................168 TXT files..........................................7
Printing of method parameters ...137 Determination tab ......................169 XML files.........................................8
Recalculation ..............................217 Substances tab ...........................171 Film deposition .................16, 201, 253
Save determination.......12, 118, 212 Voltammetric tab........................170 Film electrodes................................253
Save determination as ..12, 118, 212
Dummy cell ....................................255 Final results.....................................133
Specifications tab........................121
Start ...........................................109 Dynamic curve ..................................76 First derivative ..................................81
Stop............................................110 First vertex potential ...................49, 56
Substances tab ...........................123
VA determinations using the 838
E Format..............................................67
Edit Formula calculation ........................149
Advanced Sample Processor .......215
Voltammetric tab........................123 Edit baseline ...............................124 Frame color ......................................65
with 863 Compact VA Autosampler Edit determination method Frequency...................................43, 54
...................................................214 parameters .................................121 Full report.......................................137
Determination curves Edit parameters ............................90
Auto scaling ...............................126 Edit peak ......................................82
Axis properties..............................65 Edit working method ..................210 G
Calibration curves subwindows...121 Edit stripping steps ...........................58 Gas formation.................................271
Copy...........................................127 Electrochemical enrichment ..............62 General information............................2
Curve properties ...........................67 Electrochemical regeneration....62, 202
Determination curves subwindow121 General operation sequence .............60
Determination curves window ....120 Electrode test............................60, 198 General rules for VA trace analysis ..259
Export.........................................127 Electrodes...........36, 90, 123, 138, 198 General Settings ...............................20
Graphical properties ...................126 Electrolytes .....................................259 GLP...................................................29
Line properties..............................68 Electroplating Bath VA....................150
Load/save determination curves..118 GLP Diagnostics ................................31
Choose the Calibration technique219
Page properties ............................64 GLP Dummy Cell Tests ......................31
Choose the mode .......................219
Printing.......................................137 Operate a sequence....................223 GLP Electrode tests ...........................32
Swap axis ...................................126 GLP Settings .....................................29
Eliminate spikes ................................97
Zooming.....................................125
End.............................................80, 82 GLP Validation of a chosen method ..32
Determination data ........................130
End base point..........................98, 125 GLP Wizard.......................................30
Determination method .............86, 121
End cleaning potential ......................58 Graphical settings .............................64
Determination mode
End cleaning time .............................58 Graphics resolution.............................2
Features........................................86
Overview ......................................86 End of determination......................117
Selection.......................................86
Windows ......................................86
End potential ......41, 43, 45, 47, 54, 62, H
202, 204
Half-wave potential ..........................83
Determination tab ....................90, 123 Equilibration time .............................60
Hanging mercury drop electrode ......38
Deviation of concentration .............131 Equipment ......................................259
Hardware
Deviation of final result...................133 Error messages ...............................257 Requirements..................................2
Diagnostic procedures ....................253 Evaluation quantity .........................131 Header............................................130
Different Settings and Options with CVS Evaluation quantity calculation .......141 Height ..................................81, 84, 97
and CPVS........................................188 Exit ...................................................11 Help....................................................9
Differential pulse voltammetry ..........40 Exploratory curves window...............74 Help language ................................257
Differentiation ................................139 Exploratory mode Highest current range .......................59
Dilution calculation .........................143 Features........................................70
Measurements..............................73 HMDE...............................38, 198, 271
Direct current voltammetry ...............44
Overview ......................................70 Hold determination.........................110
Divisor ............................................101
Selection.................................15, 70 Hold measurement ...........................74
DME .........................................36, 198
Windows ......................................70 Horizontal.........................................80
Documentation...............................104
Exploratory specification Horizontal baseline .............82, 98, 125
Dosing Device Printing.........................................85
Dosing Device number................107 Hydrodynamic41, 43, 45, 47, 49, 51, 52,
Settings ........................................71
Installation..................................205 54, 56, 58
Window .......................................71
Predose ......................................108
Exponential baseline .....80, 82, 98, 125
Troubleshooting .........................258
Dosing Device control.....................199
Export.............................................105 I
Graphics .....................................127 Icons.................................................10
Dosing Device control selection ........16 Method ........................................12
Dosing Devices ...............................107 Results ..........................................88 Inert gas ...........................................61
Dosino Voltammetric parameters .............73 Initial purge time ......................61, 204
Manual control ...........................199 Export determination points .............12 Installation..................................2, 205
Double peak ...................................267 Export signal points ....................15, 72 Installation of 838 Advanced Sample
DP ............................................40, 261 Processor ............................................5
Installation of Dosing Devices .............3
Draw
Draw all curves ...........................124
F Installation of the hardware................2
Drop formation.................................60 Fast measurements...........................59 Intercept of calibration curve ..........132
Drop line ..........................................68 File .....................................................9 Intercept solution ...........................116
Drop size ..........................90, 123, 198 Files Irreproducible standard addition curves
CSV files .........................................7 .......................................................265
Dropping mercury electrode .............36
DTH files .....................................3, 7 Irreproducible standard additions ...258
DT Record calibration curve ............173 File menu......................................12
Determination tab ......................174 File types ........................................7 Isoformal standards ........................274

280 797 VA Computrace – Software

 Index

L MLAT Standard addition for brighteners

...................................................... 164
Place Intercept Solution.................. 115
Place sample .................................. 111
Label style ........................................ 66 MME........................................ 36, 254 Place VMS .............................. 112, 113
LAT Mode ................................................. 9 Plating potential............................... 58
Determination tab...................... 158
Mode menu ..................................... 15 Plating solution ...................... 202, 253
Substances tab........................... 161
Voltammetric tab ....................... 160 Modified flag ................................. 130 Plating time...................................... 58
LAT Record intercept value............. 154 Modulation time .............................. 54 Polynomial baseline...... 80, 82, 98, 125
Determination tab...................... 155 Monitor determination................... 110 Position ...................................... 81, 84
Substances tab........................... 157 Monitor window ............................ 108 Potential limit ............................. 51, 52
Voltammetric tab ....................... 156 Monitoring curves Potentiometric stripping analysis ...... 50
LAT Standard addition for brighteners Copy to clipboard....................... 118
...................................................... 158 Potentiostat ............................. 59, 123
Graphical properties ................... 117
Line.................................................. 68 Precision .......................................... 67
Multi-Mode electrode ...................... 36
Line properties ................................. 68 Predose .......................................... 108
Multiplier ....................................... 101
Line style.................................... 66, 68 Preparation procedures .................... 60
Pretreatment .................................... 62
Linear baseline ............. 80, 82, 98, 125
Linearity test .................................. 255
N Print GLP report ............................... 15
Name ............................................... 18 Printer setup..................................... 15
List of curves .................................. 121
Next step ................................. 74, 110 Printing ............................................ 15
Live display............................... 74, 111
No addition.................................... 268 Automatic documentation printout
Load .................................................. 104
Load determination............ 118, 212 No peak found ............................... 266
Determination ............................ 218
Load method ....................... 87, 209 No........................................ 67, 81, 84 Printing in determination mode.. 137
Load signal curves ................ 75, 206 Noise ............................................. 263 Printing in exploratory mode ........ 85
Login.......................................... 11, 17 Normal pulse voltammetry ............... 46 Printing order ..................... 105, 138
Low background current ................ 262 NP............................................ 46, 261 Signal curves .............................. 209
Lowest current range ....................... 59 Voltammetric parameters ........... 209
Number
Number of addition solution ........ 95 Program
Program number ........................ 130
M Number of additions .................... 92
Number of evaluation result ... 81, 84 Program start ............................. 205
Main window Number of replications................. 93 Program windows overview ........... 6
Closing......................................... 11 Number of solutions..................... 93 Progress indicator .......................... 110
Elements ........................................ 9 PSA .......................................... 50, 261
Icons ............................................ 10
Menus............................................ 9 O Pulse amplitude................................ 41
Pulse time .................................. 41, 47
Opening and closing of program Opening of program windows ......... 34
windows ...................................... 34 Pump
Operation sequence ................. 60, 110 Manual control........................... 200
Overview........................................ 9
Other curves............................. 76, 127 Pump control selection.................... 16
Manual .......................................... 117
Overload .......................... 74, 111, 197 Pump control ................................. 200
Manual peak evaluation ................... 79
Overloading of working electrode .. 270 Purging 60, 61, 92, 198, 202, 204, 253
Maximum time........................... 51, 52
Oxygen interference....................... 268 Purpose of program ........................... 1
Mean deviation .............................. 132
Oxygen removal ............................... 61
Measure........................................... 18
Measurement technique ................ 122 Q
Measurement technique selection.... 89 P Quit.................................................. 15
Menu bar ........................................... 9 Page properties ................................ 64
Mercury film electrodes............ 50, 253 Password ......................................... 18
Message windows ......................... 111 Peak
R
Method Double peak............................... 267 Range .............................................. 66
Copy parameters from determination Peak area ............................... 81, 97 RC Record response curve .............. 183
methods..................................... 210 Peak charge ................................. 82 Determination tab ...................... 184
Copy parameters from signal files210 Peak charges .............................. 121 Substances tab ........................... 186
Create new method ............... 12, 87 Peak displacement ..................... 265 Voltammetric tab ....................... 185
Edit working method ................. 210 Peak evaluation data .................. 131 RC Sample with response curve...... 179
Export .......................................... 12 Peak evaluation quantity .............. 97 Determination tab ...................... 179
Load method ................. 12, 87, 209 Peak height ............ 81, 97, 121, 140 Substances tab ........................... 182
Method files................................. 12 Peak height test ......................... 140 Voltammetric tab ....................... 181
Printing of method parameters .. 138 Peak in the highest μA range ..... 266
Peak overlapping........................ 273 RDE .................................. 39, 198, 254
Save method .................. 12, 87, 210
Save method as.............. 12, 87, 210 Peak position ............................... 95 ReadOnly ......................................... 18
Method data.................................. 130 Peak recognition ........................ 139 Recalculate an existing determination
Peak search .......................... 78, 208 ...................................................... 217
Method name .......................... 88, 130 Peak test .................................... 255 Record a signal curve ..................... 207
Method title..................... 88, 122, 130 Peak voltage ................ 81, 131, 140
Registration card ................................ 2
Minimum height .............................. 83 Peak voltage test........................ 140
Peak width ................................. 140 Regression technique ....................... 96
Minimum peak height ................ 79, 97
Peak width test .......................... 140 Remarks ........................... 88, 122, 130
Minimum peak width ................. 79, 97
Performing a test determination..... 213 Remove a mercury film................... 253
Minimum width ............................... 83
Performing determinations............. 212 Replication ................. 73, 93, 131, 139
MLAT
Determination tab...................... 164 Performing exploratory measurements73 Results ............................... 81, 84, 129
Substances tab........................... 166 Place Bath Solution ........................ 114 Export .......................................... 88
Voltammetric tab ....................... 165 Place blank..................................... 111 Results window overview ............... 129
Reverse peak .............................. 79, 97

797 VA Computrace – Software 281

 Index

Reverse sweep............................79, 97 Printing.................................85, 209 Switch on instruments ....................205

Rotating disk electrode .....................39 Save as enhanced metafile............77
Select............................................75
Swap axes ....................................76 T
S Zooming .......................................76 Table of results ...........................81, 84
Sample Signal jumps ...................................268 Test determination..........................213
General rules ..............................260 Size.............................................67, 68 Ticks .................................................67
Sample amount ....91, 111, 130, 135, Slope of calibration curve ...............132 Tiling of windows .............................34
143 SMDE .......................................37, 198
Sample curve properties..............127 Title ....................................65, 88, 122
Sample data ...............................130 Smooth factor ..............79, 83, 97, 139 Tool bar ..............................................9
Sample identifier...91, 111, 112, 114, Smoothing......................................139 Transfer parameters and data ...........73
116 Software license .............................276 Troubleshooting
Sample measurement with calibration Software validation.........................278 Connection problems..................257
curve ..........................................252 Dosing Device problems..............258
Solid state electrode ...39, 62, 201, 204
Sample unit ................................135 Error messages ...........................257
Solutions ........................................133
sample bath solution ..............114, 116 Software problems .....................257
Specifications tab............................121 Voltammetric problems...............262
Sample identifier.............................135
Spikes .............................................268 Type .............................68, 80, 82, 125
Sample position ..............................134
Square wave voltammetry ................42
Sample table...................................134
SqW .........................................42, 261
Sampled direct current voltammetry .44
SSE ...........................................39, 198
U
Save
Standard addition Unknown peak ...............................140
Save calibration ..........................118
Save calibration as ......................118 Automatic addition.....................247 Unstable baseline............................262
Save determination.............118, 212 Calculation..................................143 Unsuitable bridging electrolyte .......269
Save determination as ........118, 212 Manual addition with solution
USB connection ..............................138
Save method ........................87, 210 exchange....................................246
Manual addition without solution User
Save method as ....................87, 210 Change user rights......................206
Save settings.................................34 exchange....................................245
Mode selection .............................89 Define a new user.......................206
Save signals ................................207 User menu ................................9, 17
Rules...........................................145
Save as enhanced metafile................77 User name ....................................19
Standard addition peaks displaced..267
Savitzky/Golay smoothing...79, 83, 139 User rights ............................17, 206
Standard addition plating bath .......150 User rights overview .....................20
Scatter style......................................68
Determination tab ......................150
Scattered ..........................................68 Utility..................................................9
Substances tab ...........................153
Scope .................................80, 82, 125 Voltammetric tab........................152 Utility menu ......................................16
Search ........................................80, 84 Standard deviation .........................131
Second vertex potential ..............49, 56 Standard solution .............95, 117, 259 V
Security system.................................17 Stand-by potential ......61, 63, 203, 204 VA measurement modes...40, 122, 138
Select signal curves...........................75 Start VA Measurement modes ................261
Selected curve ..................................76 Start base point ....................98, 125
Variable addition ............................102
Settings ..............................................9 Start calibration ..........................116
Start determination.....................109 Variation...............73, 93, 98, 131, 139
Settings menu ..................................20 Start measurement .......................73 Virgin Make-up Solution .................112
Shape ...............................................68 Start potential.41, 43, 45, 47, 49, 54, Voltage step .41, 43, 45, 47, 49, 54, 56
Short report....................................137 62, 202, 204 Voltage step time ...........41, 45, 47, 54
Show Start potential...................................56 Voltage sweep..................................61
Show baselines ...........................126 Starting the VA Computrace program11
Show spikes................................126 Voltammetric tab......................93, 123
Static mercury drop electrode ...........37
Show unknown peaks ................126
Status bar ...........................................9
Signal
Status display..................................135
W
Automatic peak evaluation .........208
Default parameters .................14, 72 Stirring..60, 61, 90, 123, 198, 202, 204, Wave evaluation .......................83, 209
Export signal points ................15, 72 254 Width ...............................................68
Export voltammetric parameters ...73 Stop Window .............................................9
Load signal ...............15, 72, 75, 206 Stop determination.....................110 Working method ........................86, 88
Manual peak evaluation..............208 Stop measurement .......................74
Working method specifications
Record signal ..............................207 Stripping current...............................52 Baseline ........................................98
Save signal as .................15, 72, 207
Stripping voltammetry ..........38, 42, 62 Calculation window ....................100
Save signals automatically...........207
Style ...........................................66, 68 Calculations ..................................99
Signal files ....................................14
Substance evaluation data ..............131 Concentrations of calibration
Wave evaluation .........................209
solutions .....................................103
Signal cursor.....................................77 Substance name .......................95, 131 Determination tab ........................90
Signal curves Substances tab .........................94, 123 Documentation...................104, 105
Auto scaling .................................76 Summand .......................................101 Load/save methods.......................87
Axis properties..............................65 Suppressor-Analysis with 838 Advanced Substances tab .............................94
Change labels ...............................77 Sample Processor Voltammetric tab..........................93
Clear.............................................77 Operating sequence............234, 239 Window........................................88
Copy to clipboard .........................77
Curve properties ...........................67 Swap axes ........................................76
Graphical properties .....................76 Swap axis .......................................126 Z
Line properties..............................68 Sweep parameters ....41, 43, 45, 47, 49, Zooming ...................................76, 125
Load .............................................75 51, 52, 54, 56, 58
Page properties ............................64 Sweep rate .........41, 43, 45, 47, 49, 56

282 797 VA Computrace – Software

 Index

797 VA Computrace – Software 283