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Galaxie User Guide 91497500

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0% found this document useful (0 votes)
368 views368 pages

Galaxie User Guide 91497500

Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
You are on page 1/ 368

Varian, Inc.

2700 Mitchell Drive


Walnut Creek, CA 94598-1675/USA

Galaxie ™
Chromatography
Workstation

User’s Guide

©Varian, Inc. 2002-2006 03-914975-00:6


2 of 368 Galaxie Chromatography WS User’s Guide
Table of Contents
Introduction.............................................................................................. 5
Software Presentation..................................................................................................... 5

Getting Started......................................................................................... 9
Connection ...................................................................................................................... 9
Starting an Acquisition .................................................................................................. 10
Creating the Method.................................................................................................. 10
Defining Method Parameters..................................................................................... 12
Starting an Acquisition............................................................................................... 13
How to View an Acquisition........................................................................................... 15
Viewing an Acquisition .............................................................................................. 15
Viewing a Chromatogram.......................................................................................... 16
Reprocessing a Chromatogram .................................................................................... 18
Integration.................................................................................................................. 18
Identification .............................................................................................................. 20
Reprocessing ............................................................................................................ 21
Starting a Sequence ..................................................................................................... 23

Application Details ................................................................................ 27


Software Structure ........................................................................................................ 27
Logon......................................................................................................................... 27
Screen Construction.................................................................................................. 28
File Management....................................................................................................... 48
The Method ................................................................................................................... 60
Create a Method........................................................................................................ 61
The Different Parts of the Method ............................................................................. 63
Method Templates................................................................................................... 166
Printing Method Parameters.................................................................................... 167
Galaxie Workstation Variables.................................................................................... 168
How a Variable is Defined ....................................................................................... 169
System Variables .................................................................................................... 171
User Input Variables................................................................................................ 195
User Formula Variables........................................................................................... 199
Variable Repository ................................................................................................. 209
Baseline Monitoring / Quick Start / Sequence ............................................................ 211
Baseline Monitoring................................................................................................. 212
Quick Start............................................................................................................... 212
Sequence ................................................................................................................ 219
Viewing an Acquisition ............................................................................................ 236
Acquisition Directory................................................................................................ 242
Stop or Start a System ............................................................................................ 242

03-914975-00:6 1 of 368
Exiting the Galaxie Workstation while an Acquisition is Running ........................... 243
The Calibration Curves ............................................................................................... 243
Calibration Curve Configuration .............................................................................. 243
Building a Calibration Automatically........................................................................ 243
Building a Calibration Curve Manually .................................................................... 245
Displaying a Calibration Curve ................................................................................ 246
The Archives ........................................................................................................... 255
Printing a Calibration Curve .................................................................................... 256
Manual Integration and Identification.......................................................................... 257
Manual Identification ............................................................................................... 257
Manual Integration................................................................................................... 257
Manual Operation History........................................................................................ 261
Modifications due to Manual Operations................................................................. 261
Reprocessing a Chromatogram .................................................................................. 262
Reprocessing Several Acquisitions: The Reprocessing List................................... 265
Viewing the Results .................................................................................................... 271
Integration Results Display on the Chromatogram ................................................. 271
Viewing the Peak and Group Result Tables ........................................................... 283
Printing the Results ................................................................................................. 290
Summary Report ......................................................................................................... 290
Defining the Summary Report Format: ................................................................... 291
How to Add Chromatograms in the Summary Report............................................. 303
Chromatograms Management in the Summary Report: ......................................... 303
Editing the Summary Report Results ...................................................................... 304
Importing a Chromatogram (AIA format) .................................................................... 306
Audit Trail .................................................................................................................... 307
How to Compare Two Chromatograms ...................................................................... 309

Advanced Parameters ......................................................................... 313


Column Ageing............................................................................................................ 313
External Sequence...................................................................................................... 316
Configuration ........................................................................................................... 317
How to Use the External Sequence ........................................................................ 319
Retention Index ........................................................................................................... 323
Configuration ........................................................................................................... 323
Reference Table Building ........................................................................................ 324
Retention Index Calculation .................................................................................... 331
Retention Index for Olfactometry ............................................................................ 335
Fraction Collection ...................................................................................................... 338
Chromatogram Annotations .................................................................................... 338
Collection Log.......................................................................................................... 341
Galaxie ASCII Import .................................................................................................. 344
Galaxie Arithmetic functions ....................................................................................... 345

Procedures........................................................................................... 346

2 of 368 Galaxie Chromatography WS User’s Guide


How to Acquire a Chromatogram................................................................................ 346
How to Define a Sequence for Analysis Execution..................................................... 349
How to Build a Process Method.................................................................................. 351
How to Reprocess a Chromatogram........................................................................... 354
Individual Chromatogram Reprocess...................................................................... 354
How to Build a Calibration Curve ................................................................................ 356
Creating a Calibration Curve during the Acquisition ............................................... 356
Creating Calibration Curve after Chromatogram Acquisition .................................. 357
How to Print a Customized Report.............................................................................. 359
How to Print a Calibration Curve................................................................................. 361

Glossary ............................................................................................... 363

Index ..................................................................................................... 365

03-914975-00:6 3 of 368
4 of 368 Galaxie Chromatography WS User’s Guide
Introduction

Software Presentation
The Galaxie Workstation is a state-of-the-art, 32-bit
chromatography software platform that provides a choice of
complete pull-down task menus, user-friendly icons, and easily
accessible popup menus within specific windows. The browser
and task wizards enable new users to quickly complete their
tasks, making the Galaxie Workstation a very “easy to learn”
chromatography software.

The Galaxie Workstation can acquire analog or digital data from


any VARIAN HPLC or GC system. Full remote instrument control
is possible on many of these instruments. The control method is
fully integrated within the Galaxie Workstation interface, so that
the difference between fully controlled instruments (using full
remote instrument control drivers) and signal acquisition-only
configurations (using A/D signal conversion) methods is minimal.

The Star 800 Module Interface Box provides A/D signal


conversion for acquisition of analog data and serial and GPIB
ports for digital communication with fully controlled instruments.

A single Star 800 MIB can connect up to eight instruments per


interface box. The Star 800 MIB is provided with a standard
Ethernet output, allowing its use in an Ethernet network. It is also
possible to connect it directly to the computer via an optional
serial cable allowing it to be used in a local configuration.

03-914975-00:6 5 of 368
The Galaxie Workstation is able to effectively integrate most
chromatograms automatically using only two parameters: peak
width and noise threshold which are entered at time zero. These
parameters will normally find and apply the optimum values for
each chromatogram. Nevertheless, many specific integration
events that may be required to integrate complex
chromatograms are readily available within the Galaxie
Workstation. Reference peaks may also be used for peak
identification, and several calibration modes are available
including normalization, external or internal standard, with
response factors or calibration curves. Galaxie Workstation can
also quantify peaks within a group using a common response
factor or calibration curve.

The Galaxie Workstation allows definition of custom variables


through its unique variable editor and also summary reports with
control charts and tables which can be built to monitor the
evolution of analysis results. System suitability tests can also be
performed automatically on all Galaxie Workstation variables,
including user-defined variables.

Custom analysis reports can be configured within Galaxie Report


Editor, the Galaxie Workstation’s custom report editor.
Chromatograms, results tables, calibration reports, etc. can be
inserted with customized format and presentation and then
saved as a report style file, which can be recalled later or edited
and saved as another report style file.

Galaxie Configuration Manager is the user access rights and


instrument configuration manager that provides services such as
multi-level user and project connection, file access, and
individual user profiles containing access levels with processing
rights.

Many dedicated processing modules such as Peak Matching,


and PDA processing can be installed as add-on options to the
Galaxie Workstation.

The use of the control drivers, Galaxie Configuration


Manager, the server manager, Galaxie Report Editor, the
report builder, and all optional processing modules are
explained in detail in separate user guides that are provided
with the corresponding applications.

6 of 368 Galaxie Chromatography WS User’s Guide


How to use this manual when using the Galaxie Workstation
for the first time.

Start by reading the "Getting Started" section. This section


contains essential information about acquisition and
chromatogram handling. More detailed information for each
individual function can be found in the section “Application
details”.

03-914975-00:6 7 of 368
8 of 368 Galaxie Chromatography WS User’s Guide
Getting Started

Connection
Select the Galaxie Workstation icon on the desktop, the following
logon box is displayed:

The user must enter his or hers ‘User identification’, and choose
in the scroll box the group and the project in which to work and, if
necessary, type in a password. The password is case sensitive,
that means that abc is different from ABC.

When user connects for the first time, he will be asked to change
his password.

03-914975-00:6 9 of 368
Starting an Acquisition
The first step is the creation of a method, which then allows the
acquisition of chromatograms. This method will be associated
with the chromatogram once acquired.

Creating the Method


From the menu, select FILE / NEW/ NEW METHOD.

Select the project in which the method will be used (when in all
projects mode) and the chromatograph system, where the
method will be applied.

Click Next.

Enter the name of the method, and optionally, a method


description text which will appear as a comment in the Open File
window. The method is opened with default parameters.

To display the different parts of the method (acquisition


parameters, integration parameters, etc.), click on the
corresponding item in the browser.

10 of 368 Galaxie Chromatography WS User’s Guide


To select the FID channel …

To select a method section …

03-914975-00:6 11 of 368
Defining Method Parameters
In the browser, click on Control.

If the instrument is utilizing a full instrument control driver, enter


the required instrument method parameters.

If the chromatographic system is not to be controlled, then select


only the acquisition rate (number of data points acquired during
one second). Next, select the start mode: start on trigger or start
immediately.

Select start immediately if the acquisition must start as soon as


the Start button in the Galaxie Workstation 'Quick Start' window
is pressed. Select start on trigger if Galaxie Workstation must
wait for an external start signal, e.g., from the autosampler or by
pressing the start button of the chromatograph.

In the browser, click on Acquisition.

Parameters set in this section will appear by default in the


acquisition start windows (Quick Start and sequence). For
example, the run name can be entered (the identifier or suffix will
be implemented automatically for each run in the case of a Quick
Start) and the run length.

12 of 368 Galaxie Chromatography WS User’s Guide


In the browser, click on Integration.

This section enables the integration parameters required for a


correct integration of the chromatogram. In simple cases, the two
default parameters should be sufficient to integrate the
chromatogram roughly. Enter the approximate width of the
straightest peak of interest in the peak width parameter, and a
value for the 'threshold' to define the start and the end of a peak,
according to the slope of the signal.

These parameters are sufficient to start an acquisition. Other


method parameters, e.g. “Peak Identification”, “Calibration” or
“Grouping”, can be selected later once example data for the
application exists.

Save the method by using the pull-down menu selection


FILE / SAVE / SAVE METHOD, clicking on the Save Method
icon, or by pressing the key combination Shift+Ctrl+2.

Starting an Acquisition
Select ACQUISITION / QUICK START from the pull-down
menu.

03-914975-00:6 13 of 368
In the window, fill in the three fields by typing names or selecting
them from the drop-down lists.

The project (if connecting into GALAXIE WORKSTATION in all


projects).

The chromatography system instrument where the sample is to


be analyzed.

The name of the analysis method.

Note that if already associated with a project, it is only necessary


to connect to a system, and then to choose a method.

Click on OK.

A window appears for entering or confirming the acquisition


parameters.

The following minimum parameters must be entered:

The chromatogram name (File prefix and Run identifier that will
be used to create the name).

The acquisition run time in minutes.

If Galaxie Workstation is configured with a fully controlled


autosampler driver:

The injection volume must be entered.

The vial number in the tray and, if necessary the rack number.

Press Start once the acquisition parameters have been entered.

If the system is not using a full control driver for the autosampler,
manually inject the sample and press start on the
chromatograph.

The acquisition starts.

14 of 368 Galaxie Chromatography WS User’s Guide


How to View an Acquisition

Viewing an Acquisition
In the Galaxie Workstation main screen, go to the Systems page.

In the browser, select the system where the sample was


injected. Check on chromatogram to view the data acquisition.
Check on status to also view the system status.

NOTE: The symbol in front of the system name indicates that the system is
selected. By default both 'chromatogram' and 'status' are selected.

An idle system is preceded by the symbol, a system which is


downloading the method or is waiting for the injection by ,
and a running system by .

The chromatogram is displayed and updated throughout the


entire acquisition.

In order to stop the acquisition before the end of the run, press
the Stop button . Only the software acquisition is stopped if
the chromatographic system is not fully controlled. In this case,
the chromatograph remains active, e.g. in the case of a GC, the
temperature program will continue and the chromatograph must
be stopped manually.

If the system is fully controlled and according to drivers'


configuration, the button can stop either only acquisition or
acquisition and chromatographic system.

03-914975-00:6 15 of 368
Viewing a Chromatogram
Once the chromatogram has been acquired, open and process
it:

Press .

The Open File window appears:

In this window, use the scroll bars to scroll down the list and click
on the just acquired chromatogram. Alternately, type the first few
letters of the chromatogram name in file name box and only the
chromatograms whose names begin with these letters will be
displayed.

The chromatogram has been processed and the results are


displayed on the screen.

16 of 368 Galaxie Chromatography WS User’s Guide


In the browser, click on Results to view the integration results.

Click on Peak report to view the calculations for each peak.

The peak report is displayed in the right panel.

The calculation results (peak names, baseline, and integration


marker) are also displayed on the chromatogram.

Zoom in or out of the chromatogram by clicking and dragging the


left mouse button.

03-914975-00:6 17 of 368
Click on the bar above the chromatogram to show or hide it.

Reprocessing a Chromatogram
Once the chromatogram is opened, it is possible to modify the
chromatogram results. This may be done either by modifying the
method associated with the chromatogram or by modifying the
integration or the identification manually.

Integration

In Automatic Mode

Change the integration events in the corresponding section of


the method, and press F5 or click on the Calculate icon to
view the changes.

18 of 368 Galaxie Chromatography WS User’s Guide


In manual mode:

Use the manual integration bar to manually modify the


integration.

In Select mode, click on a marker to select the corresponding


peak, then select the icon corresponding to the desired action.

In Move marker mode, click on the marker to move, then click on


the new marker location.

In Add peak mode, click where the peak should start, then click
where the peak should stop.

In Split peak mode, click on the place the peak should be split.

In Delete peak mode, the currently selected peak is deleted.


THEREFORE, MAKE THE PEAK SELECTION BEFORE
CLICKING ON THE DELETE PEAK ICON. (The selected peak
markers and report line are highlighted in yellow).

In Merge peak mode, the currently selected peak is deleted and


the next peak is extended to the left in order to include the
deleted peak. This option is available only if peaks are separated
by a valley or have been splited.

Each time the integration events are modified manually, the


modification action is saved within the Manual operation and can
be removed using the Undo icon . Click on Results/Manual
operation in the browser to view the manual modifications.

If the chromatogram is processed using a method (reprocess or


calculate), the manual modifications will be lost. To apply
changes (identification, quantification, etc.) and keep the manual

03-914975-00:6 19 of 368
operations, use the "reprocess" function and uncheck the
"integration" option in the "options" tab.

Identification

In Automatic Mode

Change the identification table and press F5 or the Integration


icon to view the changes.

In Manual Mode

Display the result table (click on Results/Peak report in the


browser), then edit the peak names in the table. Double-click in
the ‘Name’ column and type the new name to rename the peak
manually.

As with manual integration, this operation is saved in the Manual


events and can be removed with the Undo icon .

If the identification is not correct, it is possible to rename the


peaks manually and then update the changes in the identification
method:

20 of 368 Galaxie Chromatography WS User’s Guide


Select Method and then Identification in the browser. To
update the retention windows, press the right mouse button in
the identification table and select Initialize retention times from
chromatogram. Answer yes to the confirmation message:

Reprocessing
If the Identification section, Integration section, or the Variables
are changed, press F5 or click on the Integrate icon to view
the changes.

If the Export, Post Processing, Print report or Summary sections


are changed, the chromatogram must be reprocessed.

If the Calibration section is changed, recalculating is sufficient


only if the analysis performed is for an Unknown sample.
However, if the sample is a Standard, then this sample must be

reprocessed by clicking on the reprocess icon or by


pressing the F6 key.

To reprocess a chromatogram, select PROCESSING /


REPROCESS.

03-914975-00:6 21 of 368
The Reprocessing window appears:

In this window, select the name of the chromatogram to process


from the list of all the open chromatogram names. The selected
chromatogram is chosen by default.

Now select the method to be used to process the chromatogram.


By default, the chromatogram will be processed with the method
associated with it. If the chromatogram must be reprocessed by
an external method, check on the Method file option and press
the button to select the method name in the Open File
window.

In the Calibration area, select Unknown if the chromatogram is


an unknown sample or Standard Level X if the sample is a
standard corresponding to the Level X in the Calibration method.
In the case of a standard (the calibration section of the method
has to be correctly completed first), check “Clear old points” to
22 of 368 Galaxie Chromatography WS User’s Guide
delete previous calibration points or check “Clear this level only”
to delete the points corresponding to the same standard level.
Do not check anything to add a point to an existing calibration
curve.

By accessing the Option pages, it is possible to uncheck some of


the processing features so that they will not be run during the
processing. In the case of a two-channel method, the "Options"
page is divided into 2 tabs (one for each channel). Thus, it is
possible to perform some actions on one channel and others on
the second one.

Once all the parameters are set, press the Reprocess button to
start the reprocessing. A message in the status bar at the bottom
of the screen indicates that the calculation is completed.

NOTE: If the chromatogram has been treated as a standard, a calibration curve


is generated. To display this curve, select the menu FILE / OPEN /
OPEN CALIBRATION CURVE, and select the name of the calibration
curve. The corresponding curve(s) is/are displayed on the right page.

Starting a Sequence
To start several acquisitions at the same time, the corresponding
processing methods need to be created; then it is possible to
create the sequence.

In the main menu, select FILE / NEW / NEW SEQUENCE:

A window for selecting which system to be used for injecting


samples is displayed:

03-914975-00:6 23 of 368
Select the project (if connected in all projects) and the system
and press Next, enter the number of lines (samples) for the
sequence and press OK.

NOTE: Only one system can be used by sequence.

In the Browser, a new object is added corresponding to this


sequence.

Click on the Icon ‘+’ to add additional sample lines to the


sequence table.

In each line of the sequence, enter the name of the method that
will be used for acquisition, processing, and editing of the
chromatogram.

Some cells of the line are filled automatically with the parameters
entered in the acquisition part of the method.

The minimum parameters that must be entered are:


24 of 368 Galaxie Chromatography WS User’s Guide
• The chromatogram name (File prefix and Run
identifier that will be used to create the name).
• The acquisition run time in minutes.
• The user input variables if some have been defined
in the method with a mandatory feature.
• The istd values, if an internal standard calibration
has been defined in the method.
If Galaxie Workstation controls an autosampler:

• The injection volume.


• The vial number in the tray and, if necessary, the
rack number.

To fill the cells quickly, use the “Fill block” icon (or the fill
block option in the popup menu), for example, fill-in the first
RunID (suffix) cell, then select this cell with all the cells to be
filled, and press the “ Fill block” icon .

A window called ‘Auto fill block’ appears.

Press OK.

The cells are filled with incremented integers or a copy of the first
cell.

Save the sequence, then launch the sequence with the Run icon
.

03-914975-00:6 25 of 368
26 of 368 Galaxie Chromatography WS User’s Guide
Application Details

Software Structure

Logon
When initially starting the Galaxie Workstation, a logon is
required that will identify each person with a user name and the
project(s) and group in which the work will be performed. This
amounts to specifying a working directory, a profile, etc. The
working directory is the directory where the data are stored, i.e.
the file path when opening or saving a file. The profile is defined
for a user or several users and specifies the rights to perform the
various actions in the Galaxie Workstation. If a menu or a certain
button is deactivated, the user does not have the access
privilege or rights to perform the corresponding action. A prompt
for password entry may also be required for certain tasks.

Users with the right to log on all projects will have the possibility
to choose “All projects” as the project name. This enables them
to view all files in all projects and to control all instruments
assigned to the projects. This special privilege is defined in the
user properties in Galaxie Configuration Manager.

The user, group, and project names are defined in Galaxie


Configuration Manager.

The name, group, and project for the user are displayed in the
Galaxie Workstation status bar, at the bottom of the main screen.

03-914975-00:6 27 of 368
In order to change the name of the user connected or to change
the group, it is necessary to logon again: Select SESSION /
NEW LOGIN from the menu and a new connection window will
appear as for the first logon session to Galaxie Workstation as
described above.

Any user with administrator rights can change passwords in the


Galaxie Configuration Manager. However, a user can change his
password in the Galaxie Workstation using the menu SESSION /
CHANGE PASSWORD, if he has been assigned the right to
modify his password (this option is defined in the user properties
in the Galaxie Configuration Manager).

Screen Construction
The Galaxie Workstation screen consists of a main menu,
toolbars for specific tasks, a browser, three tabs, and a status
bar.

The main menu provides access to most of the software


functions. However, more specific tasks can be performed using
the toolbars. The popup menus also provide access to many
functions. Click the right mouse button within the window of
interest to make the popup menu appear. Every tables and
graphics use popup menus.

28 of 368 Galaxie Chromatography WS User’s Guide


The bar displayed above the chromatogram:

allows the user to hide the chromatogram, when selected in the


browser. This can be useful to display in full page the content of
a selected part of the chromatogram’s method.

Main Menu

Available Menus
File menu- manages the files and configures the
software and the printing.
Display menu- displays or hides toolbars and
configures chromatogram view parameters.
Acquisition menu- starts a single acquisition, a
baseline monitoring or a remote sequence.

03-914975-00:6 29 of 368
Method menu- configures the method.
Data menu- manages opened chromatograms: selection
of chromatograms and viewing of chromatogram
properties.
Session menu- displays information about the
connected user and enables a change in logon.
Processing menu- recalculates or reprocesses the
results of a chromatogram.
Help menu- provides quick access to information about
software features.

The Toolbars

The toolbars provide rapid access to most Galaxie Workstation


functions. These toolbars can be displayed or hidden.

Select the menu option DISPLAY / TOOLBARS, and a window


appears with a list of all toolbars that can be hidden or shown.
Simply check the box next to the named toolbar in order to
display it, each unchecked box indicates that the toolbar will not
be displayed.

File bar

This menu provides access to the file management features:


open, save, close, printing, etc. These functions are available for
chromatogram, method, sequence, reprocessing list.

Once a chromatogram is selected or has been opened, the first


three icons can open, save, or close chromatograms. In the
same way, when opening or selecting a method, a calibration
curve, a reprocessing list or a sequence, the three icons manage
the corresponding files, and their properties are modified
accordingly. For example: to open a method and to
open a sequence.

: if a chromatogram is selected, the associated report (report


style part of the method) is printed. If a method or a calibration
curve is selected, the following screen is displayed:

30 of 368 Galaxie Chromatography WS User’s Guide


The User selects a defined report in the list; he can edit it by
pressing the Edit button, create a new one by pressing the New
button or refresh the list by pressing the Refresh button.

: to have a preview of the report before its printing.

03-914975-00:6 31 of 368
Display Bar

This toolbar provides access to (in order):

: to display the identification window of identified peaks


centered on the experimental retention time, (that means if the
user has defined reference peaks, and that a peak which has a
theoretical retention time defined in the identification table of 3
minutes and has an actual retention time of 4.2 minutes, the
window displayed is centered around 4.2 minutes). The user has
to place the mouse cursor onto the name of a peak in the peak
identification table to display its identification window.

: to display the start and end markers of integrated peaks.

: to display annotations of peaks (it can be the name of the


peak, its retention time, etc, according to what is selected in the
chromatogram annotation bar, or in the format/chromatogram
section of a method).

: to display the baseline.

: to display the integration event markers.

: to display the integration event annotation selected in the


chromatogram annotation bar, or in the format/chromatogram
section of a method.

32 of 368 Galaxie Chromatography WS User’s Guide


Chromatogram Annotation Bar

Use this toolbar to select the way to display the chromatogram


on the screen.

This toolbar provides access to (in order):

: to display the Workspace, used to define the type of


chromatogram view (overlay, stack, full screen), and the scale.

: to display the properties of a peak: distribution of acquired


points, inflection points, etc.

: to display the PDA calculator, that allows the user to


perform calculations on spectra.

: to display the audit trail of the selected chromatogram or


calibration curve.

: to configure the way to annotate peaks.

: to configure the way to annotate integration events.

: to configure annotations and markers displayed on the


chromatogram.

: to configure the way to annotate fractions (available only for


chromatograms acquired with a system fitted out with a fraction
collector).

: to display the collection log (available only for


chromatograms acquired with a system fitted out with a fraction
collector).

03-914975-00:6 33 of 368
Acquisition Bar

starts Quick Start

Data Bar

Chromatogram name: to select an open chromatogram.

Chromatogram properties: to display the properties of a


chromatogram: variables, information, sample properties, etc.

Processing Bar

: reintegrate a chromatogram after changes: In the


integration part, calibration (if it is an unknown only), peak and
group identification.

: to reprocess a chromatogram, this function allows you to


perform all the functions accessible from the method.

Manual Integration Bar

(see page 257)

This menu provides access to (in order):


to select the peak for which the integration has to
be modified.
to move the peak markers.
to add a new peak
by defining its start and end.

34 of 368 Galaxie Chromatography WS User’s Guide


to split a peak into two peaks.
to remove a peak

to merge two peaks

to delete the last manual operation performed.

Every manual changes realized are listed in the part


results/manual operations of the chromatogram.

NOTE: To unlock a toolbar and make it a separate moveable window, click at the
left side of a toolbar then drag it to the desired location.

The Browser

The browser is displayed at the left part of the application


window to permit viewing of opened files names.

The browser can be hidden. If it is not visible, select the menu


option DISPLAY and check BROWSER.

At the bottom of the browser are three tabs: Data, Systems, and
Calibration. Click on Data to view the chromatograms,
sequences, methods and the reprocessing list that are opened.
Click on Systems to display the running acquisitions. Click on
Calibration to edit the calibration curves.

Press the right mouse button on any item displayed in the


browser to view a popup menu to provide faster access to
options when performing certain tasks.

To Display a Method
Select the menu option FILE / OPEN / OPEN METHOD and
double-click on the file name to be opened.

The name of the method is displayed in the browser. The


method can be a multi-channel method. In this case, the sub-

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methods for each channel are shown above the name of the
method. By clicking on one or another channel, the right panel
display will be updated corresponding to the selected channel.

The method is composed of several sections (Control,


Acquisition, Integration, etc.). Each section can be displayed in
the right panel by clicking in the bottom part of the browser.

The name of the method, under which the channel sub-methods


are listed, is also displayed in the space between the two parts of
the browser.

Click the right mouse button on the method to view its popup
menu. The popup menu of a method is:

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CLOSE METHOD To close the method

SAVE METHOD To save the method

SAVE METHOD AS To save a method under a new name.

SAVE METHOD AS TEMPLATE: To save the method as a


template.

PRINT: to print the method report

The popup menu of the grids (displayed in the right part of the
screen) contains a Copy option that allows the grid content to be
copied for pasting into another application (Word, Excel).

To View a Chromatogram
Select the menu option FILE / OPEN / OPEN
CHROMATOGRAM and double-click on the file name to open.

The name of the chromatogram is displayed in the browser. A


chromatogram is saved with the method used to process it and
the results.

Click on Data to view the chromatogram in the right panel.

Click on Method to display the method. The method is composed


of several sections (Control, Acquisition, Integration, etc.). These
sub-methods are displayed in the right panel by clicking on them
in the bottom part of the browser.

NOTE: To hide the chromatogram when displayed above the method, uncheck the
menu option DISPLAY / DATA VISIBLE,, or click on the bar above it.

Click on Results to view the calculation results in the right panel.


The results include the manual operations, peak table, and group
table.

Press the right mouse button on the chromatogram name


displayed in the browser to view its popup menu. The following
options are available.

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CLOSE CHROMATOGRAM To close the chromatogram without using
the Close chromatogram window.
SAVE CHROMATOGRAM To save the chromatogram.
SAVE METHOD AS To save the method of the chromatogram
TEMPLATE as template
PRINT To print the chromatogram report
DATA VISIBLE Check or uncheck this menu to show or
hide the chromatogram in the right panel,
when method or results parts are selected
AUDIT TRAIL To view the last processing actions
performed on the chromatogram.
CHROMATOGRAM
PROPERTIES View the chromatogram properties ( ),
and parameters such as the sample
mass, the internal standard mass and all
the global variables, including the user
input variables.

Press the right mouse button on the data part of the


chromatogram in the browser, the DATA VISIBLE option is
available in the popup menu.

Press the right mouse button on the method name of the


chromatogram in the browser to view its popup menu. The
following options are available.
SAVE CHROMATOGRAM To update the last method used to
METHOD reprocess the chromatogram with the
chromatogram processing parameters
SAVE METHOD AS To save the method as a new method,
with a new name.
SAVE METHOD AS To save the method of the chromatogram
TEMPLATE as template
AUDIT TRAIL To view the last processing actions
performed on the chromatogram.

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To View a Sequence
Select the menu option FILE / OPEN / OPEN SEQUENCE and
double-click on the file name to open.

The name of the sequence is displayed in the browser. Click on


it to display the sequence in the right part of the application.
Press the right mouse button on the sequence displayed in the
browser to view its popup menu. The popup menu of a sequence
is:
CLOSE To close the sequence: it is not possible to
SEQUENCE close a running sequence.
SAVE SEQUENCE To save the sequence.
SAVE SEQUENCE To save the sequence under a new name, so
AS that the original sequence file is not lost
(overwritten).
PRINT To print the sequence

To View a Reprocessing List


Select the menu option FILE / OPEN / OPEN REPROCESSING
LIST and double-click on the file name to open it.

The name of the reprocessing list is displayed in the browser.


Click on it to display the reprocessing list in the right part of the
application.

Click the right mouse button on a reprocessing list displayed in


the browser to view its popup menu. The popup menu of a
reprocessing list is:
CLOSE REPROCESSING To close the reprocessing list.
LIST
SAVE REPROCESSING To save the reprocessing list.
LIST
SAVE REPROCESSING To save the reprocessing list under a new
LIST AS name, so that the original reprocessing list
is not lost (overwritten).
PRINT To print the reprocessing list

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To View an Acquisition
Click on the System tab set at the bottom of the browser. The list
of all accessible chromatographs (dependent upon user access
rights and group/project definition) is displayed in the browser.

For each chromatograph (or system), the active chromatogram,


as well as system status (particularly interesting if the system
has a fully controlled autosampler) and general information about
the run can be viewed during the acquisition.

This information can be displayed by “system” or “by type”:

Press the button to view all information concerning


one system in the same window. When this button is pressed,
choose which information will be displayed for each system by
checking the corresponding objects.

Press the button to view only one type of


information (acquisition or status), for a few or all of these
systems (check the corresponding systems).

A maximum of 2 chromatograms or 2 status displays can be


viewed by page.

Click the right mouse button on an item displayed in the browser


to view its popup menu.

To View a Calibration Curve


Click on the Calibration tab at the bottom of the browser.

Select the menu option FILE / OPEN / OPEN CALIBRATION


CURVE and double-click on the file name in order to open the
selected file.

A calibration curve consists of several curves, one for each


compound calibrated in the chromatogram. In the browser click
on the compound to display the corresponding curve in the right
panel.

All previous versions of a calibration curve are not completely


deleted, but archives can be created if the user allows it, (defined

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in Galaxie Configuration Manager). The archives can be sorted
by date or by name:

Press the button to sort them by compound.

Press the button to sort them by date.

Press the button to view the current curves.

NOTE: The archiving date of a file corresponds to the date at which the calibration
curve has been replaced, i.e. the creation date of the new curve. The
calibration curve creation date appears in the right screen.

The Status Bar

The status bar at the bottom of the main screen displays


information about the software status:

File name zone displays the name of the selected file (and
channel in the case of multi-channel chromatograms and
methods).

Process zone displays a progress bar during a calculation or


any other task indicating that the system is busy. When the
system is available, by pointing the cursor inside a curve, the
coordinates of the cursor position are also displayed in this zone.

Points number (n= ): If a chromatogram is selected, this field


indicates the number of points constituting this chromatogram, or
if only a part of the chromatogram is displayed (zoom), the
number of points contained in this part of the signal.

User name zone displays the name of the current user.

Group-project zone displays the group and the project names of


the current session. In the case of an “all projects” connection,
only the name of the group is displayed.

Method Name: If a chromatogram is opened, an additional field


mentioning the name of the last method used to process the
chromatogram is added after the Group/project.

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Waiting process: indicates the number of processes that have
to be performed, or the last process done.

These different fields can be empty, according to the tab


selected (Data, Systems, Calibration), the process running or the
selected object.

The Shortcuts

Many shortcuts have been defined within the Galaxie


Workstation, which will be helpful in order to work quickly using
the keyboard.

Note that these shortcuts are also displayed within the Galaxie
Workstation menus.

Warning: The numbers used in the shortcuts cannot be entered


from the numeric keypad on the keyboard.

Displaying
The following shortcuts keys of the software are listed below:
F1 Press this key to display the online help menu.
F2 Press this key to display the chromatogram
properties in which the sample mass, the internal
standard quantity and all the global variables
(including user input variables) are displayed and
can be modified.
F3 Press this key to display the workspace in order to
change the full scale or zoom within the
chromatogram.
Ctrl+F3 Press these keys to display the peak properties
displaying some peak variables.
F9 Press this key to display the Data of the browser
window (the panel where the acquired
chromatograms, the methods and the sequences
are displayed).
F10 Press this key to display the System of the
browser window that contains the actively running
acquisitions.

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If this button is pressed in the System panel, the
buttons Systems and By type will be selected one
after the other.
F11 Press this key to display the Calibration of the
browser window, when the calibration curve is
displayed.
If this button is pressed when a calibration curve is
displayed, the buttons Cur, Arch/compound and
Arch/date will be selected one after the other.

Run
The following shortcuts quickly perform certain actions:
F5 Press this key to start the integration and the
identification of the selected chromatogram.
F6 Press this key to open the Reprocessing window.
F8 Press this key to open the Quick Start window.
Ctrl+Alt+4 Use these keys to start a sequence
Ctrl+Alt+5 Use these keys to start a reprocessing list

File
The following shortcuts provide rapid access to certain actions
available in the file menu:
Alt+F4 Press these keys to quit Galaxie Workstation.
Ctrl+F4 Press these keys to close the selected
chromatogram.
Shift+Ctrl+F4 Press these keys to close all the files opened in
Galaxie Workstation.
Ctrl+S Press these keys to save all the files opened in
Galaxie Workstation.
Ctrl+P Press these keys to print a report for the selected
chromatogram with the report style selected in the
method.
Alt+Ctrl+F4 Press these keys to display a preview of the report
for the selected chromatogram.
Ctrl+H Press these keys to view the chromatogram.

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Ctrl+W Press these keys to access the report style open
file box.
To open, close, save, or create a new file, use the following
shortcuts:
Ctrl+1 Press these keys to access the chromatogram
open file box.
Ctrl+2 Press these keys to access the method open file
box.
Ctrl+3 Press these keys to access the calibration curve
open file box.
Ctrl+4 Press these keys to access the sequence open file
box.
Ctrl+5 Press these keys to access the reprocessing list
open file box.
Ctrl+6 Press these keys to access the summary report
open file box.
Ctrl+7 Press these keys to access the spectral library
edition window (available if you have a Diode
Array Detector).
To create a new file, use the Ctrl+Alt keys plus the number
defined above. Note that it is not possible to create a new
chromatogram or a new calibration curve.

To save files, use the Shift+Ctrl keys plus the number defined
above.

To save a file under a new name, use the Shift+Ctrl+Alt keys


plus the number defined above. Note that it is not possible to
save a chromatogram or a calibration curve under a new name.

To close files, use the Shift+Alt keys plus the number defined
above.

Result
The following shortcuts will display the results of the selected
chromatogram:

Ctrl+M Press these keys to display the manual operation


history.
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Ctrl+A Press these keys to display the peak result table.

Ctrl+U Press these keys to display the group result table.

Annotation
The following shortcuts will modify the chromatogram displays:
Ctrl+Alt+C Press these keys to open the chromatogram
annotation screen, that is to modify all the
chromatogram annotations (Including the following
ones).
Ctrl+Alt+E Press these keys to modify the integration events
display within the chromatogram.
Ctrl+Alt+K Press these keys to modify the peak annotations
display.
Ctrl+Alt+I Press these keys to display or hide the peak
identification windows.
Ctrl+Alt+M Press these keys to display or hide the peak
markers.
Ctrl+Alt+N Press these keys to display or hide the peak
annotations.
Ctrl+Alt+B Press these keys to display or hide the baseline.
Ctrl+Alt+V Press these keys to display or hide the integration
event markers.
Ctrl+Alt+T Press these keys to display or hide the integration
events.

Method
The following shortcuts are used to display different parts of the
method.
F7 Press this key to display the Variable editor.
Ctrl+L Press these keys to display the control method
section.
Ctrl+Q Press these keys to display the acquisition method
section.
Ctrl+N Press these keys to display the pre-processing
method section.

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Ctrl+I Press these keys to display the integration method
section.
Ctrl+K Press these keys to display the peak identification
method section.
Ctrl + G Press these keys to display the group identification
method section.
Ctrl+B Press these keys to display the calibration method
section.
Ctrl+T Press these keys to display the suitability tests.
Ctrl+F Press these keys to modify the peak report, group
report and chromatogram formats.
Ctrl+E Press these keys to display the export method
section.
Ctrl+O Press these keys to display the post-processing
method section.
Ctrl+R Press these keys to display the printing method.
Ctrl+Y Press these keys to display the summaries
method.

Sequence and Reprocessing List


Ctrl+↵ (enter) Press these keys to display the information
available with the button.

There are several different file types used in Galaxie Workstation


(chromatogram, method, sequence, etc.). Most files can be
opened and displayed using the browser.

Chromatograms

A chromatogram consists of:


Raw data, i.e. the acquisition data points.
The method, which is the last method used to process the
chromatogram. Control and acquisition methods are never
modified during a reprocessing; they are defined at the time of
acquisition.
Results, i.e. the results group, peak tables and the manual
modifications list, if any.

46 of 368 Galaxie Chromatography WS User’s Guide


The audit trail, traces the last processing actions performed,

After the chromatogram acquisition, the user can modify its


method (integration parameter, identification…) and recalculate
the results using these new parameters. It is also possible to
reprocess a chromatogram with a totally different method (Menu
option PROCESSING / REPROCESS).

One data file (xxx.data) is created by injector, which means that


if the chromatographic system is defined with two injectors, two
data files are generated by analysis. If several channels are
defined by injector, the chromatogram data files generated are
composed of several signals. The following picture represents
the display of the chromatogram in the browser, in the case of a
system with two channels.

Methods

A method consists of several sections:

Control method: Contains the parameters used to execute the


acquisition (which can be a Star 800 MIB or a chromatograph):
acquisition rate, start mode and, in the case of a fully-controlled
system, the configuration parameters and programs of the
chromatograph modules.

Acquisition method: the default parameters will be


automatically displayed in the acquisition screens (Quick Start
and sequence): run time, run name, etc. It is possible to modify
these parameters for every acquisition using these screens.

Preprocessing method: this section contains the blank


chromatogram, if any.

03-914975-00:6 47 of 368
Integration method: list of the automatic integration events and
the times at which they are set.

Identification method: the identification parameters of the


peaks and groups.

Calibration method: this option is used to set the quantification


parameters (Response percentages, external standard etc.) and
also to set the calibration curve parameters, if any.

Formats: this feature enables definition of a format for group


reports, peak reports, and chromatograms. Formats can also be
defined in the properties: right click in the chromatogram, peak or
group report and then select the PROPERTIES option.

Export method: the nature, name, path, and content of the


method file, which will be exported during the reprocessing is
defined.

Suitability tests: this section allows the setup of suitability tests


on the defined variables. If one of the tests fails, Galaxie
Workstation will display on the screen and/or print in the report,
the warning message as defined by the user.

Post processing: used to run programs or macros after the


completed processing of the chromatogram. Be careful to close
the files containing the macros before launching them or
processing will not be possible.

Print method: displays the name of the report style.

Summary: displays the summary or the summary name(s)


selected.

File Management
There are two ways to manage the files: using the FILE menu or
the File toolbar:

48 of 368 Galaxie Chromatography WS User’s Guide


File Menu

Creation of a New File


Use the pull-down menu option FILE and then select NEW /
NEW METHOD, NEW METHOD FROM TEMPLATE, NEW
REPORT STYLE, NEW SEQUENCE, NEW REPROCESSING
LIST, or NEW SUMMARY REPORT, to create the
corresponding new file in Galaxie Workstation.

For each type, wizards will guide the user through creating the
new file.

Open a File
The menu options FILE / OPEN will open the chromatograms,
method, report style, calibration curve, sequences, reprocessing
lists, summary report, spectral library.

Each file uses its own “open file” dialog box, all based on the
same template.

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The Open file dialog displays the list of those files visible in the
directory associated with the group (when the user is logged on
to “All projects") or with the project (when the user is logged on
to a specific project).

It is possible to access the sub-directories: double-click on the


folder icon ( ). While in the sub-directories, the path is
displayed at the top of the window (‘Look in:’). It is possible to
return to the previous directory by using the root directory button:
.

NOTE: The Chromatogram open file box allows the user to open chromatograms
generated by different software: Galaxie (.DATA), Borwin JMBS ™ (.CH), Star
VARIAN™ (.RUN) and also AIA (.CDF) files.

♦ Open file toolbar


Use this button to return to the root directory.

Use this button to customize the columns to be


displayed.

50 of 368 Galaxie Chromatography WS User’s Guide


Use this button to display only the list of the
files.
Use this button to display the files with details
(acquisition date).
Use this button to display only files.
Use this button to display files and a preview of
the selected file (only for chromatograms).
Use this button to apply the filter defined in the
Query page.
Use this button to deactivate the filter.

♦ Sorting files

It is possible to sort files by name or creation date in either


increasing or decreasing order by clicking in the column header.
A down arrow indicates that the files are sorted in increasing
order, while an up arrow shows that the files are sorted by
decreasing order.

It is also possible to display and to sort files according to other

criteria: click on the custom column button , the following


window is displayed:

User puts a checkmark into the columns to display: creation


date, last modification date, operator, chromatographic system
name associated with the files.

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The Open file box size is adjustable, to allow the viewing of all
the columns.

NOTE: The creation and modification dates correspond to Windows date. For
example, if you overwrite a file (when you have the right to overwrite
existing files) the creation date is not updated and will correspond to the
date of the first creation with the same name.

♦ Selecting file
To scroll through the file list, use the keyboard arrows or the
cursor on the vertical scroll bar.
The selected file is displayed in "BLUE" and, at the same time, a
compressed image (if possible) of the file and file information
appear at the right of the window. The content of this information
is entered during file creation (New method, New sequence). For
chromatograms, the information has to be entered in the "Quick
Start" window or in the sequence. This field is also accessible
when processing a "Save as" file.

To select or deselect several files at the same time, use the


SHIFT or Ctrl keys combined with left mouse clicks, as in
Windows Explorer. When all the files to be opened are selected,
press the OK button.

NOTE: It is not possible to open several methods, summary reports or calibration


curves at the same time.

♦ Chromatogram preview

If a preview of the chromatogram is displayed in the Open file


window, it is possible to zoom in on this image, and magnify it
using a click and drag with the left mouse button from the top
left-hand corner to the bottom right-hand corner of the area. It is
also possible to scroll the zoomed area by holding down and
then moving the right mouse button. To zoom out, click and drag
the left mouse button from the bottom right-hand corner to the
top left-hand corner.

♦ Queries

The Query page allows user to define filters. Once a filter is


activated, only the files which correspond to the query’s specific
criteria are displayed in the File selection page.

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Several queries can be made simultaneously. To add a query,
click on the Add Query button. To remove the last query, click
onto the remove last query button. To apply queries, click onto
the Use filter… button. Queries are connected by the ‘AND’
logical operator, that means all the defined queries must be
satisfied to select a file.
Files can be sorted according to:
Acquisition date
Last modification date
Operator name
Information content
Chromatographic system name associated to the file
The options for the second and third fields depend on the query
being specified.

Sort according to dates:


The second field options are:
is
is before
is after
the date choice is made by activating the third field:

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Sort according to: operator name, information field,
chromatographic system name:

The second field options are:


is (this option is not available for information field)
contains
begins with
ends with
The user enters the desired text in the third field.

To view the result of the queries, click on the Use Filter… button,
the ‘File selection’ tab is then displayed, listing the files which
satisfy the queries. To cancel queries, click on the deactivation
icon filter . To again apply the queries defined in the ‘Query’
tab, click on the use filter icon .

Note that to sort files faster, the user can enter in the ‘File
name’ field of the main screen:

the first letters of the file name to open: only files whose name
begins by those letters are displayed.

* letters: only files whose name ends by these letters are


displayed.

*letters*: only files whose name contains these letters


are displayed

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*.XXX: only files whose extension is XXX are displayed
(only for chromatogram files that may open .DATA,
.CDF files)

Save a File
Two possibilities exist: save a file with same name (overwriting
the previous one) by using the menu FILE / SAVE / SAVE file
type, or save the file with another name by using the menu
FILE / SAVE AS / SAVE file type AS. In both cases, the Galaxie
Workstation prompts to save the file type corresponding to the
active file.

When several files of the same type are opened, the currently
selected file will be saved. Therefore, click first on the file to be
saved in the browser, then select FILE / SAVE / SAVE file type.

♦ Each file uses its own 'SAVE AS file' box, based on the
same template. The Save file window displays a list of the
files already created in the directory associated with the
group (when the user is logged on to “All projects") or with
the project (when the user is logged on to a specific project).

It is possible to access the sub-directories by double-clicking on


the corresponding icon ( ). Once in the sub-directory, the path
is displayed at the top of the window (‘Look in:’) and it is possible
to return to the previous directory using the Root directory
button: .

Enter the name of the file in the File Name part. Enter the
corresponding information in the corresponding zone (facultative)
and then press the Save button.

Selecting an existing file name will overwrite the existing file. An


on-screen warning message will appear since the file that is
about to be overwritten will be lost and unrecoverable.

For Chromatogram file, two saving functions are available:


‘SAVE METHOD AS’, allowing the user to save the
chromatogram method as a separate file (.METH) with another
name other than the one of the method associated to the
chromatogram; and ‘save chromato method’ allowing the user to
overwrite the method associated to the chromatogram.

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♦ File/Save Toolbar:
Use this button to return to the root directory.

Use this button to customize the columns to be


displayed.
Use this button to display only the list of the
files.
Use this button to display the files with details
(acquisition date).
It is possible to sort files by name or creation date in either
increasing or decreasing order by clicking in the column header.
A down arrow indicates that the files are sorted in increasing
order, while an up arrow shows that the files are sorted by
decreasing order.

It is also possible to display and to sort files according to other

criteria: click on the custom column button , the following


window is displayed:

The user puts a checkmark into the columns to display: creation


date, last modification date, operator, chromatographic system,
sign info, or lock info associated with the files. The sign info and
lock info are available only for chromatograms and inform user
that the file has been signed off and locked.

The Open file box size is adjustable, to allow the viewing of all
the columns.

NOTE: The creation and modification dates correspond to Windows date. For
example, if you overwrite a file (when you have the right to overwrite

56 of 368 Galaxie Chromatography WS User’s Guide


existing files) the creation date is not updated and will correspond to the
date of the creation.

NOTE: Only methods, sequences, and reprocessing lists have a "SAVE AS"
function.

The menu options FILE / SAVE ALL will save all the files that
are opened in Galaxie Workstation.

Close a File
The FILE / CLOSE / CLOSE Type of file to close menu is
active only if a file of this type is currently opened in the Galaxie
Workstation.

When several files of the same type are opened, the currently
selected file will be closed. Therefore in the browser, first click on
the file to be closed, then select FILE / CLOSE / CLOSE type of
file.

The option to close several chromatograms at the same time is


available. Therefore, when choosing the menu option CLOSE
CHROMATOGRAMS, a window is displayed, which lists the
names of all open chromatograms. Select each of the
chromatograms to be closed, then press OK. All of the selected
chromatograms will be closed at the same time. It is also
possible to select or deselect all of the chromatograms using the
Select all button.

The menu option FILE / CLOSE ALL will close all of the files that
are currently opened in the Galaxie Workstation.

Concurrent File Access


If a user tries to open a file which is already opened in Galaxie
Workstation by another person, a message advises the user that
the file can only be opened in read-only mode. No modification
can thus be saved, therefore the Save button of a read-only file
is inactive.

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Chromatogram: a read-only chromatogram can be modified
either by the "Integrate" (F5) function or by manual integration or
identification, but it can not be saved. The Galaxie Workstation
allows the printing of the modified results. A report corresponding
to an unsaved data file is printed with a "Data Not Saved"
background.

Method: a read-only method can be modified but not saved.

Sequence: when a sequence is in read-only mode, only column


customization and sequence printing are allowed. Other
modifications are not allowed (add/delete lines, clear sequence,
start sequence…)

Reprocessing list: when a reprocessing list is in read-only


mode, only column customization and sequence printing are
allowed. Other modifications are not allowed (add/delete lines,
clear reprocessing list, start reprocessing list…)

Summary report: when a summary report is in read-only mode,


it can be printed, but the chromatogram number and variables
can not be modified.

Report style: a read-only report style can be modified, but not


saved.

Calibration curve: a message advises the user when the curve


is already use by another user.

Generally speaking, when a file is already opened, Galaxie


Workstation forbids the creation of a new file with the same
name.

The "Save as" function also forbids to keep the same name. But,
chromatogram method can be saved with the same name if the
"Save chromatogram method" Galaxie Configuration Manager
profile has been selected. Select the "Save chromatogram
method" from the popup menu of the chromatogram method in
order to save the chromatogram method under the same name.

File Toolbar

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The icons also provide chromatogram management as in the
corresponding menus. The only difference is that the icons
provide faster access.

The first icon will open files, the second will save current files,
and the third will close files.

The graphic appearance of the toolbar (three first buttons)


changes slightly according to the active file type currently loaded
in the Galaxie Workstation. For example, if chromatograms are
being managed, the open file icon will appear as . If methods
are being managed, the icon will appear as . When working
with sequences, the icon will appear as , with calibration
curves, the icon will appear as .
When working with the reprocessing list, the icon will appear as
.
If the current icons are displayed for chromatogram
management, it is possible to change this display. For example,
to open a calibration curve, click on the arrow at the icon’s right,
then select the correct sub-menu:

The appearance of the toolbar is changed when a file is opened,


saved, closed, or when a file is selected.

Files Storage/Files Extensions Generated by


Galaxie Workstation

Files are stored in directories whose paths are defined in Galaxie


Configuration Manager.

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Each file type generated by Galaxie Workstation uses its own
extension, thus making it easy to find using the Windows
Explorer.
Chromatogram: .DATA
Method: .METH
Sequence: .SEQU
Reprocessing list: .REPL
Report style: .STYL
Calibration curve: .CALB
Summary report: .SUMR
Method report style: .STYM
Calibration report style : .STYC
It is forbidden to use the following characters, \ /:*?"<>| in a file
name.

The chromatograms, methods, sequences and reprocessing lists


files are stored in the project root directory. Calibration curve,
summary report and report style files are stored in the group root
directory, thus allowing their use in several projects belonging to
the group.

If a method is defined in a project, and that user wants to use it


in another, the user must save it “AS A TEMPLATE METHOD”
and once logged in the right project, he must create a “NEW
METHOD FROM TEMPLATE” (see page 166). It is
recommended that the user refrains from copying a method from
a directory to another. Indeed since, a method is linked to a
project at its creation. All chromatograms acquired with this
method are stored in the project directory. Copying this method
in another project directory will introduce confusion; all (new)
acquired chromatograms will be stored in the original project
directory and not in the new one. Calibration curves and report
styles can be copied from one group to another and
chromatograms from one project to another as well.

The Method
The method contains parameters for instrument control, data
acquisition, chromatogram processing, and the format of results.

60 of 368 Galaxie Chromatography WS User’s Guide


It is not compulsory to define all of the method sections when
initially setting up an acquisition, but it is mandatory to complete
the instrument control section prior to start an acquisition
(especially for an automatic operation).

Create a Method
Select the FILE / NEW / NEW METHOD options from the main
menu.

A wizard provides assistance during the first steps of method


creation:

Choose the system (chromatograph) associated with the


method. A method is created for a particular system. Thus, when
starting an acquisition, the name of the system that performs the
acquisition must be correct, since method access is limited only
to those associated with this system.

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Note that if the user is connected under 'all projects', the 'New
method' wizard will contain one additional field to allow selection
of the project

Once these two fields are completed, the NEXT button is


activated. Click on the NEXT button to move to the second step
of the method creation:

Enter the new method name in the first edit box. In the
description box, enter information concerning the method
(optional). This will be displayed in the open file window, when
the file is selected.

Once the entry of these two fields is completed, the OK button is


activated. Click on the OK button, and the new method is created
and will be opened with default parameters in Galaxie
Workstation.

The next step is to define each of the method sections. The


instrument control section must be defined in order to start an

62 of 368 Galaxie Chromatography WS User’s Guide


acquisition. This is the minimum requirement. However, the other
sections may be defined later, after the acquisition of a
chromatogram in order to view the peak retention times.

For multi injector system:

- Control section is defined for the whole system. Only one


control method must be defined.

- Acquisition section is specific for each injector. Other


sections of the method (Pre-processing, Integration,
Identification…) are specific for each detector. Parameters
must be set for each detector channel.

It is possible to disconnect an injector, or channels, by


unchecking them in the browser.

The Different Parts of the Method

Control

This section of the method depends on the chromatographic


system. For fully controlled instruments (i.e. where a specific
instrument control driver is used), the control section consists of
all the parameters that can be set for this chromatography
system.

If the instrument is not fully controlled, the analog signal


delivered by the system passes through a STAR 800 MIB
interface that converts it into a numeric data, understandable by
Galaxie. The control method is very simple and contains only the
acquisition frequency (number of points per minute) and the way
in which the remote start signal is sent from the equipment:

03-914975-00:6 63 of 368
these parameters are defined in the Star 800 MIB screen –

Control section window of the method (button ).

Note that when relays are used, they can be programmed in the

Star 800 MIB relays panel (button ).

The parameter ‘Prerun state’ corresponds to the relay state


during the pre-run step.

The parameter ‘Injection control’ is used when the start signal is


sent to the instrument via a relay activated by Galaxie
Workstation (Start on trigger mode).

Relay programming may be done during the analysis: define the


time when the relay must be activated and the corresponding
action (OPEN, CLOSE, production of a PULSE: the minimum
value for the pulse duration is 100 msec).

adds a new line in the relays table.

deletes the selected line in the relays table.

clears and removes all of the lines in the relay


table.

NOTE: During a sequence, if a method using relays has been defined, and the
acquisition length is shorter than relay program time, the download of the
method for the next run will not start until relay programming has finished.
But if you stop the running acquisition from the system tab, the relays
programming time will stop running and next analysis will start.

Acquisition

In the acquisition method, default parameters are set as they will


be displayed in the acquisition windows: Quick Start or
sequence. It is also possible to modify these parameters before
starting the acquisition.

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File prefix: Specify the first part of the chromatogram name in
this zone. The chromatogram name has the identifier appended
to it.
Identifier: Specify a numeric value for the second part of the
chromatogram name in this zone. For example, if the file prefix is
‘Run’ and the identifier is 55, the name of the chromatogram will
be Run_55.data. The identifier is incremented automatically after
each acquisition in the case of single acquisitions (started using
the Quick Start).
Description: Information about the run may be entered in this
area. This information will be saved with the chromatogram and
displayed in the open file window and in the chromatogram
properties (DATA / CHROMATOGRAM PROPERTIES). The
description can be a maximum number of 255 characters.
Sample mass: Enter the total mass of the sample in this field.
This value can be used for the calculation of compound

03-914975-00:6 65 of 368
amounts. The sample mass variable can be used along with all
the other variables available in the variable editor. Enter the
mass unit in the adjacent edit box.
Internal standard: It is possible here to define default internal
standard quantity (or quantities): User must previously have
defined the name of the internal standard(s) in the Peak
Identification part of the method and have indicated which
(whose) peak(s) are internal standard(s) in the calibration part of
the method. Enter then the corresponding value in the internal
standard zone, or if there are several internal standards, press
the Edit button.

NOTE: If the internal standard quantity changes from a sample to another, it is not
advisable to enter a value at this step. The internal standard can be
entered in the Quick Start window, in the corresponding column, in the
sequence for an acquisition, in the chromatogram properties for single run
reprocessing, or in the corresponding column in a reprocessing list.

Multiplier factor: This variable is used to multiply all the


quantities calculated by the same factor.
Divisor factor: This variable is used to divide all the quantities
by the same factor.
Specific Channel Parameters: This option is displayed only in
the case of a multi channels system. Different multiplier factor,
divisor factor, sample mass, and working scale by channel may
be entered.
Dead time: This time corresponds to the time required for the
sample solvent (or any non-retained compound) to reach the
detector. This time is used for the calculation of the selectivity
and capacity factor.
Vial: The vial number can be entered for information only or can
be used to specify which autosampler vial number should be
injected. According to the injector installed, alphanumeric values
can be entered (refer to the autosampler driver manual).
Rack: The rack number can be entered for information only or
can be used to specify the rack number that contains the vial that
should be injected in the case of a fully controlled autosampler.
Acquisition length: Specify the total acquisition time in this
field.
Injection volume: The injection volume can be entered for
information only or can be used to specify an injection volume for
the autosampler if fully controlled by Galaxie Workstation. Enter
the volume unit in the adjacent edit box.

66 of 368 Galaxie Chromatography WS User’s Guide


Working scale: By default, the Y scale of the chromatogram is
defined according to the maximal signal. However, in the case of
a chromatogram containing a very large solvent peak, it can be
useful to display only the small peaks. By unchecking the
Automatic Box, it is possible to select limits to display the
chromatogram during the acquisition, both on the main screen
and in the report (if special limits are not set in the report). The
Force (0,0) option forces the scale of the acquisition screen to
display the origin (0,0), for example, to show the (offset) of a
chromatogram. This function cannot be used to force the signal
to go through the origin.
User can easily modify the format of the following displayed
variables:

• In “Sample Properties”: every variables


• In “Acquisition parameters”: acquisition length
• In “Working scale”: RT min and RT max
To change the format, put the cursor of the mouse on the box
corresponding to the variable which format has to be modified,
click on the right mouse button and select the option ‘Edit
Variable XXX’ in the popup menu, where XXX represents the
variable name.

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The variable screen is then displayed, allowing only the
modification of the selected variable format. For example for the
sample mass, the following screen is displayed:

NOTE: The ‘Quick Start’ screen is almost the same as the one of the acquisition
section of the method. The format of some variables displayed in the
‘Quick Start’ screen is customizable in the associated method, and NOT
modifiable from the ‘Quick Start’ screen.

If using a system with several channels, an additional option is


available: Specific Channel Parameters. When this option is
checked, some variables usually defined for all channels can be
defined by channel. These variables are: multiplier factor,
division factor, sample mass and working scale, of course as in
the case of non Specific Channel Parameters mode, Internal

68 of 368 Galaxie Chromatography WS User’s Guide


standard values and User inputs variables remain channel
dependant.

If using this option, user has to enter values in each acquisition


part of the method of each channel. If not using it, the acquisition
part of the method is common to all channels (of the same
injector).

This means that during acquisition (Quick Start or Sequence),


different values can be entered for these variables according to
the channels.

Pre-processing

Subtract a Blank to a Chromatogram


In the preprocessing section of the method, it is possible to
select a blank chromatogram that will be subtracted from the
sample chromatogram before any further calculation.

Press the Open icon: and select the blank chromatogram in


the Open file window. If the blank chromatogram has been
acquired on several channels, the channel to be subtracted must
also be selected. The blank must be acquired with the same
frequency (number of points per minute) and its run length
must be greater or equal to the one of the original
chromatogram.

Subtracting a file of the Same Sequence


In the sequence, it is possible to define blank files that will be
subtracted from the following chromatograms to be acquired. To
define a blank sample run, blank must be selected in the sample
type column of the sequence.

For example if a sequence consists of ten lines: The first and


sixth ones should be blank files and should be subtracted from
the second to the fifth and the seventh to the tenth runs
respectively. The only necessary operation is to select Blank in
the Sample type column for the first and the sixth lines.

03-914975-00:6 69 of 368
Recovering Raw Data
When a blank is subtracted from a chromatogram, the raw data
are not lost: to recover it, delete the blank called in the pre-
processing section of the method with the button, and then
reprocess (F6) the chromatogram and the raw data are
recovered.

Integration

Integration Events

Peak Detection Events


Set peak width

This event defines the width of the peak to be found in the


chromatogram. This value is used to smooth the chromatogram
by grouping several acquisition points during peak detection. The
number of grouped points depends on the chosen width. A point
whose height is the mean of all the points in the group
represents each group.

Enter a value corresponding approximately to the width of the


narrowest peak to be detected in the chromatogram.

If the peak width varies greatly in the same chromatogram, it is


possible to change peak widths throughout the chromatogram as
necessary. Set new values in Set Peak Width, half it using Half
Peak Width, or double it using Double Peak Width.

If the defined peak width value is too small, the peaks will be
detected, but too late.

70 of 368 Galaxie Chromatography WS User’s Guide


If the defined peak width value is too large, the peaks will not be
detected at all.

A peak width must be defined before integrating the


chromatogram.

The default peak width is 0.2 minutes. (For µGG, most of the
analysis is well integrated with a value of 0.0005).

Set Threshold

This parameter is used to define the start and the end of peaks
and eliminates the lowest signal variations due to noise or to
detector signal drift.

The Galaxie Workstation allows two types of threshold


calculation: relative threshold or absolute threshold. The
absolute threshold is defined in the METHOD / INTEGRATION /
PARAMETERS menu, by unchecking the Use relative threshold
option. Details about the way Galaxie Workstation detects peaks
is described in the “Peak start and end determination” section.

If relative threshold is used (by default), the chromatogram is first


normalized to 100,000 (Highest peak of the chromatogram) in
order to obtain a similar detection from one analysis to another
(for example, if the injected quantity varies). If absolute threshold
is used, no preliminary calculation is done. Next, the points are
grouped depending on the peak width defined above. The mean
height of a group of points is compared to the mean height of the
following group. If the difference is higher than the threshold, the
integrator marks the beginning of a peak. The position of the
marker is adjusted by considering only the points. The peak will
be kept only if its area and heights are larger than minimum
values defined by user.

The peak ends are detected in the same way using the
threshold.

The value of the threshold is important. If too high of a threshold


value is defined, the peak starts will be detected too late and the
peak ends too early. Moreover, small peaks could not be
detected at all. If a too small of a threshold value is defined, the
peak starts will be detected too early, and the peak ends too late,
and signal noise can be detected as peaks.

03-914975-00:6 71 of 368
The user can define the threshold value, or the Galaxie
Workstation can estimate it using Estimate threshold according
to the peaks that should be detected.

It is also possible to add a value to the threshold using Add to


threshold. For example, if the threshold is estimated at the
beginning of the analysis, and the signal noise increases at the
end of the analysis, the threshold will need to be increased only
at the end. Note that it is possible to add a negative value in
order to decrease the threshold value.

The default threshold value is 10. (For µGC, most of the


analyses are well integrated with a value of 0.1)

Set Solvent Threshold

This event performs the elimination of solvent peak(s) if they are


not peaks of interest.

The parameter associated with this event works in a similar


manner to the absolute threshold (without previous normalization
of the chromatogram). The points are grouped depending on the
peak width defined above. The mean height of a group is
compared to the mean height of the following group. If the
difference is higher than the solvent threshold, Galaxie
Workstation considers that the peak is a solvent peak, and does
not integrate it.

The defined value must be high enough to prevent the deletion


of peaks of interest.

72 of 368 Galaxie Chromatography WS User’s Guide


Set Shoulder Threshold

This event allows the user to have a better sensibility for


detecting peaks where the peak start cannot be found easily.

The user has to enter a value for the Shoulder Threshold


event. A possible start point is determined between Slope 1
and Slope 2 when:
o |Slope 2| < Shoulder threshold
o |Slope 3| < Shoulder threshold
o |Slope 1| > Shoulder threshold
o |Slope 4| > Shoulder threshold
o Slope1×Slope4>0

NOTE: The slope is computed across the data bunch interval.

For example, before:

03-914975-00:6 73 of 368
After :

74 of 368 Galaxie Chromatography WS User’s Guide


Max Y threshold %: By default to be integrated, a peak must
satisfy the following condition: minimum signal value < 1% of the
maximum signal value of the peak. To integrate some peaks that
are not integrated by default by the software, user can reduce
this value up to 0. In the contrary, to not integrate some noise on
the top of a solvent peak for example, user can increase this
value.

Estimate Threshold

If the event "Estimate threshold" is not defined, solvent peaks


are integrated. User can define several events ‘Estimate
threshold’, for each time the event is defined, Galaxie
Workstation calculates both absolute threshold and relative
threshold (see definition in the Integration algorithm section). The
calculated values are displayed in the chromatogram properties
and are named: AUTOTHRESHOLD_ABS_i and
AUTOTHRESHOLD_REL_i, where i represents the ith defined
event in the integration table.

Compute Noise

This event calculates the noise value from the signal during an
acquisition. (The calculations are explained in the standard
global variables). The noise needs a start and an end to be
calculated: Add a Compute noise ON event at the time when the
noise calculation should start, then add a Compute noise OFF
event at the time when it should stop. Be careful not to include

03-914975-00:6 75 of 368
peaks in the defined area because they would be considered as
noise.

The calculated value is displayed in the chromatogram


properties. The corresponding variable is "NOISE". If no time
period is defined, the NOISE value is equal to 0.

NOTE: If several events (NOISE ON / NOISE OFF pairs) have been defined,
only the value calculated for the last period is displayed.

Slice Integration

This event allows the user to deactivate the automatic integration


during a defined period. This can be useful to integrate a set of
peaks as a single peak. This event is totally independent of the
Peak width and the Set threshold.

Example:

76 of 368 Galaxie Chromatography WS User’s Guide


Set Minimum Height/Area
These parameters are used to prevent the integration of noise as
peaks or to eliminate small peaks which are not of interest in the
analysis.

All peaks whose height or area is less than the minimal height
and/or area parameters set are deleted from the peak report.
Therefore, choose parameters that are less than the areas and
heights of all the peaks to be integrated.

Minimal heights and areas can be defined absolutely or relatively


to total chromatogram heights and areas using the events “Set
minimum height %” and “Set minimum area %”.

By default, minimum area and height settings are equal to zero.

Forced peaks

03-914975-00:6 77 of 368
Turn integration On/Off

These events activate or deactivate integration within sections of


the chromatogram (e.g., during baseline fluctuations (injection
shock):

55 000
50 000
45 000
40 000
35 000
30 000
[µV]

25 000
20 000
15 000
10 000
5 000
0

0 5 10 15 20 25 30 35 40 45 50
RT [min]

In the above example, integration has been deactivated during


the first 5 minutes.

Start/Stop peak now

These events allow the start or the end of a peak to be defined,


earlier or later, without having to modify the integration
parameters. The marker is re-positioned at a new retention time
when this event is specified.

78 of 368 Galaxie Chromatography WS User’s Guide


For example, before:

1 200
1 100
1 000
900
800
700
[µV]

600
500
400
300
200
100
0

0 1 2 3 4 5 6 7
RT min

After:

1 200
1 100
1 000
900
800
700
[µV]

600
500
400
300
200
100
0

0 1 2 3 4 5 6 7
RT min

Be cautious if using these events in automatic mode: check that


retention times have not shifted from one analysis to another.

Add peaks

This event enables addition of several peaks. All the peaks


defined between the activation and the deactivation of this event
is grouped into one peak.

03-914975-00:6 79 of 368
For example, isomers whose names are not known peak by
peak, but contain nearly the same response factors can be
considered as one group. The peak grouping is considered as
one peak. Note that the peak start or stop position is
automatically adjusted around the defined time to avoid the
baseline cut by the signal.

In the above example, the peaks between 10.5 and 12.5 minutes
are added.

NOTE: If the baseline cuts the signal in the section corresponding to the ‘Add
peaks’ events (ON + OFF), the expected added peak can be not defined.
In this case, change the baseline position thanks to the corresponding
integration event(s).

Split peak

This event will split a peak into two parts, and can be used either
to separate peaks poorly resolved or to obtain specific results on
parts of some peaks in certain applications.

80 of 368 Galaxie Chromatography WS User’s Guide


2 800
2 600
2 400

Split Peak Now


2 200
2 000
1 800
[µV]

1 600
1 400
1 200
1 000
800
600
7 8
RT min

Be cautious when using this event in automatic integration mode.


If retention times vary from one analysis to another the results
may not be what were expected.

Negative Peaks Processing


This Detect Negative Peaks event activates negative peak
detection.

When negative peak detection is activated (On), it is better to


also deactivate it. Detect negative peaks Off, because during
the integration algorithm the Galaxie Workstation tries to place a
baseline between these two events (On and Off). If the signal
passes below this raw baseline, Galaxie Workstation searches
for negative peaks. When the signal is above this raw baseline,
Galaxie Workstation searches for positive peaks.

Negative peak detection depends on the signal height when the


event is activated and deactivated, so it is also dependent upon
the time when the events are specified. As a consequence, be
careful to ensure that negative peak detection is not activated or
deactivated after the beginning of a peak.

03-914975-00:6 81 of 368
200
180
160

Detect Negative Peaks ON


140
120
100
80
60
40
[µV]

20
0
-20
-40
-60
-80
-100
-120
-140
-160
2 4 6 8 10 12 14 16 18 20 22 24
RT min

Baseline Processing
Baseline Valley to Valley On/Off

When this event is activated, the baseline passes through all the
valleys.

18 000

16 000
Baseline Valley-to-Valley OFF

14 000

12 000
Baseline Valley-to-Valley ON

10 000
[µV]

8 000

6 000

4 000

2 000

0
14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44
RT min

Each peak has its own baseline drawn from the peak start
marker to the peak end marker.

82 of 368 Galaxie Chromatography WS User’s Guide


Horizontal Baseline

This event enables the definition of a horizontal baseline.

A horizontal baseline is drawn from the activation of this event


until its deactivation. It is imperative to define the event couple
(ON and OFF) to apply this event.

NOTE: ON is symbolized by a green mark and OFF by a red one.

10 000
Dérive.DATA
9 500

Horizontal Baseline OFF


9 000
8 500
8 000
7 500

Horizontal Baseline ON
7 000
6 500
6 000
5 500
[µV]

5 000
4 500
4 000
3 500
3 000
2 500
2 000
1 500
1 000

6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
RT [min]

The height of the baseline is the height of the signal when the
event is activated.

It is better to use the “Horizontal baseline by peak” event,


because the height of the baseline will be related to the start or
the end of a peak, and not to the event activation time.

Horizontal Baseline by Peak

This event enables definition of a horizontal baseline. The


horizontal baseline start or stop are not applied to the defined
times, but to the nearest start or stop peak time

03-914975-00:6 83 of 368
13 000
12 000

Horizontal Baseline by peak OFF


Horizontal Baseline by peak ON
11 000
10 000
9 000
8 000
[µV]

7 000
6 000
5 000
4 000
3 000
2 000

22 24 26 28 30 32 34 36 38 40 42 44
RT min

If an event is activated at the beginning of a peak (between the


start marker and the peak apex), it becomes operative at the
peak start time. If the event is activated at the end of the peak
(between the top of the peak and the stop markers), it becomes
operative at the peak stop marker time.

Backward Horizontal Baseline

This event enables definition of a horizontal baseline at the level


of the signal when this event is deactivated.

The horizontal baseline is drawn from the activation of the event


until its deactivation. The baseline is drawn at the level of the
signal when the event is deactivated.

4 500 derive2.DATA

Backward Horizontal Baseline OFF


4 000
Backward Horizontal Baseline ON

3 500

3 000
Start Peak Now
[µV]

2 500

2 000

1 500

1 000

500

2 3 4 5 6 7 8 9
RT min

As a consequence, the two events “Horizontal baseline


Backward On” and “Horizontal baseline Backward Off” must be
defined.

84 of 368 Galaxie Chromatography WS User’s Guide


Backward Horizontal Baseline by Peak

This event enables definition of a backward horizontal baseline.

The horizontal baseline is drawn from the activation of the event


until its deactivation. The baseline is drawn at the level of the
signal at the stop marker of the peak preceding the event
deactivation.

Backward Horizontal Baseline by peak OFF


7 000 derive2.DATA
6 500
Backward Horizontal Baseline by peak ON

6 000
5 500
5 000
4 500
4 000
[µV]

Start Peak Now

3 500
3 000
2 500
2 000
1 500
1 000
500
1 2 3 4 5 6 7 8 9 10
RT min

As a consequence, the two events “Backward Horizontal


Baseline by peak On” and “Backward Horizontal Baseline by
peak Off” must be defined.

Force Baseline

This event forces all the peaks between the events “Force
baseline On” and “Force baseline Off” to have a common
baseline. The peak markers of the first and last peaks are
therefore modified by this event. To prevent modification of the
first and last peak markers, the recommended event to use is
“Force baseline by peak”.

As a consequence, the two associated events “Force baseline


On” and “Force baseline Off” must be defined.

03-914975-00:6 85 of 368
10 000

Force Baseline OFF


9 000

8 000

Force Baseline ON
7 000

6 000
[µV]

5 000

4 000

3 000

2 000

1 000

2 4 6 8 10 12 14 16 18 20 22 24
RT [min]

instead of

10 000

9 000

8 000

7 000

6 000
[µV]

5 000

4 000

3 000

2 000

1 000

2 4 6 8 10 12 14 16 18 20 22 24
RT [min]

If the forced baseline penetrates the signal, the baseline will


automatically adjust so that it always remains under the signal.

86 of 368 Galaxie Chromatography WS User’s Guide


14 000
LigneCourbe.DATA
13 000
12 000
11 000
10 000
9 000

Force Baseline OFF


8 000
7 000
[µV]

6 000
Force Baseline ON

5 000
4 000
3 000
2 000
1 000
0
2 4 6 8 10 12 14 16 18
RT min

instead of

Force Baseline by Peak

This event forces all the peaks between the events ”Force
baseline by peak On” and “Force baseline by peak Off” to have a
common baseline.

The difference with force baseline is that in this case, the


markers of the first and the last peak are not modified.

03-914975-00:6 87 of 368
Baseline Now

This event forces the baseline to pass through the signal at the
event time.

18 000

16 000

14 000

12 000

10 000

Baseline Now
[µV]

8 000

6 000

4 000

2 000

0
14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44
RT min

becomes

18 000

16 000

14 000

12 000

10 000
[µV]

Baseline Now

8 000

6 000

4 000

2 000

0
14 16 18 20 22 24 26 28 30 32 34 36 38 40 42 44
RT min

This event is used to


Bring the baseline back to the signal.
Separate peaks which have a common baseline.
End earlier a tailing peak.
The position of this event is relative to retention time drift, but as
for most of the events, a similar peak-dependent event exists:
“Baseline next valley”.

88 of 368 Galaxie Chromatography WS User’s Guide


Baseline Next Valley

This event is similar to the previous one (Baseline now). The


only difference is that Galaxie Workstation waits for the valley
following the event to bring back the baseline to the signal.

As a consequence, this event is best suited for separation of


peaks having a common baseline, since “Baseline next valley” is
less dependent on retention time variations from one analysis to
another.

Shoulder Peaks
To integrate a peak as the skimming of another, both peaks
need first to be integrated. Thus it is important to define correct
detection parameters (Set peak width and Set threshold) before
defining the skimming parameters.

Set Skim Ratio

This event allows you to set the shoulder integration threshold


above a mother peak. This threshold must be associated to the
events “Tangent skim front/rear” and “Exponential skim
front/rear”.

A peak will be integrated as a shoulder peak on another peak, if


its height satisfies the shoulder peak criterion.

In the following example, the second peak will be considered as


a shoulder on the first peak if:

h1
≥ parameter and (ho ≠0)
h2

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By default, this threshold is equal to 4.

Tangent Skim Next Peaks On/Off

If this event is activated (On), all the peaks having a common


baseline are integrated as shoulder peaks on the first peak, with
a tangent baseline.

The tangent skim Next Peaks event does not work when the
mother peak is not fully resolved (e. g. has a valley with the
previous peak). The use of a Baseline Now event has the effect
of removing the valley, and thus allows the skimming event to
work properly. See figures below.

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Without the baseline now event, there is a group of three peaks
sharing a common baseline

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The baseline now event just breaks the group of peaks

NOTE: There is another event, more powerful, called Tangent Skim Rear, which
handles such situations.

Exponential Skim Next Peaks On/Off

If this event is activated (On), all the peaks having a common


baseline are integrated as shoulder peaks on the first peak, with
an exponential baseline.

Tangent Skim Rear/Front

Select this event to integrate one or several peaks as shoulders


on a mother peak with a tangent baseline.

If Galaxie Workstation detects poorly resolved peaks whose


heights satisfy the above height criterion, a tangent baseline is
drawn underneath the shoulder peaks.

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24 000
IntégrationCasA.DATA
22 000
20 000
18 000
16 000
14 000
12 000
[µV]

10 000
8 000
6 000
4 000
2 000
0
13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
RT min

If the event is “Tangent skim front”, the shoulders are integrated


before the mother peak. If the event is “Tangent skim rear”, the
shoulders are integrated after the mother peak.

Exponential Skim Rear/front

Select this event to integrate one or several shoulder peaks with


an exponential baseline.

If Galaxie Workstation detects two poorly resolved peaks whose


heights satisfy the above height criterion, an exponential
baseline is drawn underneath the shoulder peaks.

03-914975-00:6 93 of 368
24 000
IntégrationCasA.DATA
22 000
20 000
18 000
16 000
14 000
[µV
12 000
]
10 000
8 000
6 000
4 000
2 000
0

13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
RT min

NOTE: The popup menu of the integration event table contains a Copy option
that enables to copy the list of events before to paste it into another
application.

Integration Algorithm
The integration algorithm operates in 4 stages: Spike reduction,
data bunching, peak detection and baseline construction.

Spike Reduction
This stage is very useful if the signal is perturbed, and
particularly with negative spikes. This stage can also be used to
filter a part of the noise (and especially cyclic noise).

In the following example, some spikes perturb the


chromatogram; the baseline is placed between the lowest points
(the bottom of the spikes). Thus the area calculations are wrong:

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If the spike reduction is activated, the spikes will be eliminated
from the signal and the baseline drawn on this signal:

This step can of course be bypassed and the parameters


defining the strength of the spike reduction can be modified.
These parameters are defined in the advanced integration
parameters, available using the METHOD / INTEGRATION /
PARAMETERS menu:

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Uncheck the Reduce noise box to deactivate the spike reduction.

Change the spike reduction factor to modify the way the noise is
eliminated: The larger the spike reduction factor is: the more
noise will be eliminated. A value of Ø corresponds to no
reduction. A value of 1 (default value) is generally a good
compromise. In the above example, the specified value was 5.
Be careful a too high value could eliminate small peaks.

Data Bunching
After the spike reduction, the chromatogram points are bunched
and the peak starts and stops are detected. This step will
eliminate some additional noise (random noise).

During data point bunching, the chromatogram is examined and


every n point group is averaged into one point. Then the peak
start and end determination is done with these bunched points.

Data bunching uses mean points in order to improve the peak


start and end determination. The number of points that are
bunched depends on the peak width defined in the integration
method:

W
n=
15 × Δt
W is the peak width (in minutes) set in the integration method.

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Δt is the acquisition period (inverse of the acquisition
frequency), i.e. the time interval between two acquisition points
(in minutes). This global variable is called DELTAT in the Galaxie
Workstation software.

A peak should contain at least 15 bunched points to be well


detected.

Peak Start and End Determination


The peak starts and ends are determined using the bunched
data points and the threshold entered in the integration method.

Galaxie Workstation allows you to integrate a chromatogram with


two threshold types: normalized threshold (used by default) or
absolute threshold.

Normalized Threshold
The threshold is “normalized” in order to reduce the influence of
the injected amount:

Ymax
Th norm = Th ×
100,000

Th norm is the normalized threshold

Th is the threshold entered in the integration method

Ymax is the maximum value of the signal along the chromatogram

Then, to determine peak starts and peak ends, the variation of


the height between the bunched data is compared to the
normalized threshold:

First of all, a peak start is searched:

If P1 is the height of a point, it is compared to P2, the height of


the next point and P3, the height of the second next point:

Calling h1= P2-P1 and h2= P3-P2,

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h1 + h2
If h1> Th norm and h2> Th norm and if > Th norm then
2
a peak start is created in P1.

Then a peak apex is searched:

If P1 is the height of a point, it is compared to P0, the height of


the second previous point and to P2, the height of the second
next point:

Calling h1= P0-P1 and h2= P1-P2,

If h1×h2<0 then a peak apex is detected in P1.

After a peak apex, valleys or peak ends are searched:

Valley:

If P1 is the height of a point, it is compared to P0, the height of


the second previous point and to P2, the height of the second
next point:

Calling h1= P0-P1 and h2= P1-P2,

If h1×h2<0 then a valley is created in P1.

Note that the test is the same as for a peak apex, but after a
peak apex if this test is positive, it means that there is a valley.

Peak end:

If P1 is the height of a point, it is compared to P2, the height of


the previous point, P3, the height of the second previous point
and P0 the height of the next point:

Calling h1= P2-P1, h2= P3-P2 and h3=P1-P0

If h1< Th norm , h2< Th norm and h3< Th norm then a peak end
is created in P1.

A peak apex is searched after a valley whereas a peak start


is searched after a peak stop.

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If negative peak detection is activated, the succession of peak
starts, apexes, valleys and ends are the same, the test for peak
apexes and valleys is the same as define above, the test for
peak start and end is the opposite:

h1 + h2
If h1<- Th norm and h2<- Th norm and if <- Th norm
2
then a peak start is created in P1.

If h1>- Th norm , h2>- Th norm and h3>- Th norm then a peak


end is created in P1.

Here are the ways the peak ends and apex are determined:

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Afterwards the position of the marker is adjusted by considering
only the points. The peak will be kept only if its area and height
are larger than minimum values.

Absolute Threshold
In some analyses, the major peak size (solvent for example)
changes a lot. If the normalization is made on the maximum
height peak, this can modify the integration of the other peaks of
the chromatogram. In these cases, it is possible to define an
absolute threshold: select the METHOD / INTEGRATION /
PARAMETERS menu.

The following screen is displayed:

Uncheck the Use relative threshold option.

Then Galaxie Workstation defines the start and end of peaks.

First of all, a peak start is searched:

If P1 is the height of a point, it is compared to P2, the height of


the next point and P3, the height of the second next point:

Calling h1= P2-P1 and h2= P3-P2,

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h1 + h2
If h1> Th and h2> Th and if > Th then a peak start is
2
created in P1.

Then a peak apex is searched:

If P1 is the height of a point, it is compared to P0, the height of


the second previous point and to P2, the height of the second
next point:

Calling h1= P0-P1 and h2= P1-P2,

If h1×h2<0 then a peak apex is detected in P1.

After a peak apex, valleys or peak ends are searched:

Valley:

If P1 is the height of a point, it is compared to P0, the height of


the second previous point and to P2, the height of the second
next point:

Calling h1= P0-P1 and h2= P1-P2,

If h1×h2<0 then a valley is created in P1.

Note that the test is the same as for a peak apex, but after a
peak apex if this test is positive, it means that there is a valley.

Peak end:

If P1 is the height of a point, it is compared to P2, the height of


the previous point, P3, the height of the second previous point
and P0 the height of the next point:

Calling h1= P2-P1, h2= P3-P2 and h3=P1-P0

If h1< Th , h2< Th and h3< Th then a peak end is created in


P1.

A peak apex is searched after a valley whereas a peak start


is searched after a peak stop.

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If negative peak detection is activated, the succession of peak
starts, apexes, valleys and ends are the same, the test for peak
apexes and valleys is the same as define above, the test for
peak start and end is the opposite:

h1 + h2
If h1<- Th and h2<- Th and if <- Th then a peak start
2
is created in P1.

If h1>- Th , h2>- Th and h3>- Th then a peak end is created in


P1.

Baseline Construction
Where the peak starts and ends are defined, the baseline must
be constructed:

A baseline is drawn between a peak start and the next peak end.
The algorithm then checks that the baseline does not cross the
chromatogram signal. If it does and negative peak detection is
not activated, the baseline is modified by applying the tangent
method in order not to intersect the signal.

becomes

In the above example the baseline intersects the signal at points


2 and 3. Therefore the baseline is modified: it is drawn, as if it is
a rubber band between the first peak start (1) and the last peak
end (5). At points 2 and 3 the rubber band moves to follow the
signal, i.e. when the baseline first touches the signal at 2 a peak
end is generated and when it moves away from the signal, a new
peak start is generated.

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Peak Identification

This stage is used to identify peaks present in a chromatogram.

The Peak Identification Table


The first step is to fill out the identification table.

The identification table associates a peak, identified by its


retention time to a name. It is possible to define reference peaks
by checking the Reference peaks box. These are then used for
the peak identification when differences in the retention times
due to analytical conditions, occur.

How to Build an Identification Table


To fill a table, press the right mouse button when in the table and
a popup menu will appear.

Using the ADD menu option, insert as many lines as needed,


then fill in the retention times and the names.

If the chromatogram has already been integrated, the


identification table can be filled automatically with the retention
times of all the peaks integrated in the chromatogram or peak(s)
can be added one by one in the table.

First integrate the chromatogram by using either the icon,


the F5 key, or by selecting the PROCESSING / INTEGRATE
menu. Then,

03-914975-00:6 103 of 368


• To list all the integrated peaks in the table, select the
peak identification chromatogram method subsection
and click within the peak identification page to access
the popup menu, choose the INITIALIZE FROM
CHROMATOGRAM option. The Galaxie
Chromatography Data System will then paste the
retention times and names for peaks (UNKNOWN_i)
contained in the chromatogram (if any).

• To list only peaks of interest in the identification table,


select the peaks one by one in the chromatogram
picture, then select the Peak / Add to peak ID table
option in the context menu. A line is automatically added
in the peak identification table, the peak is temporarily
named UNKNOWN_i, its retention time is listed. The
user will then be able to modify then name and the
identification windows if needed.

Each line of the table represents one peak. In each line, enter
the name of the compound corresponding to the peak, identified
by its retention time and then choose the identification window
width in the columns “Abs. Windows” and “Window percentages”
(See Identification window: “Abs Window” and “Window %”) and
the identification mode.

It is also possible to fill the peak identification table from Excel.


First define the peak names and RT in Excel (in columns and in
this order), copy those parameters, then select the ‘Initialize from
clipboard’ option, available from the peak identification table
context menu. The table is automatically filled The user can also
copy an identification table, by using the ‘Copy’ option of the
peak identification table context menu and paste it in Excel, then
import the table in another method.

NOTE: only the peak names and the retention times are imported from Excel in the
identification table.

To delete an identification table line, highlight it by left clicking at


the beginning of the line that is to be removed, then right click
and choose DELETE CURRENT in the popup menu. To delete
several lines, select them by left clicking in the first empty
column of the table and drag the mouse to select several lines,
and/or using the Ctrl and Shift keys as in any Windows

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application. Right-click within the table to access the popup
menu, then choose the DELETE SELECTION option. It is also
possible to delete the entire identification table by choosing
DELETE ALL in the popup menu.

The popup menu of the peak identification table contains a Copy


option that enables its content to be copied and pasted into
another application.

Identification Table Columns


Peak Name: The name of the compound corresponding to the
peak. Two different peaks can not have the same name.

Retention Time: The theoretical retention time of the peak. Two


different peaks can not have the same retention time.

Abs. Window: The absolute part of the identification window.

Window %: The relative part of the identification window.

These windows define the maximum interval around the


retention time in which the peak will be assigned a specific
compound name.

The absolute identification window is defined in minutes and in


1/100 of minutes. The relative identification window is defined as
a percentage of retention time. If the relative identification
window percentage (Window %) is used, the larger the retention
time is, then the wider the relative retention time window will be.

If retention time is RT, absolute window is Abs, and relative


window is %W, a peak will be identified as the peak if its
retention time is between

⎛ %W × RT ⎞ ⎛ %W × RT ⎞
RT − Abs − ⎜ ⎟ and RT + Abs + ⎜⎝ ⎟.
⎝ 100 ⎠ 100 ⎠

The identification window can thus be defined in minutes using


absolute or relative windows, or defined using a combination of
both.

The reference peak identification windows are treated


separately. The reference peaks are identified first followed by all
03-914975-00:6 105 of 368
other peaks. If the reference peaks are correctly identified in
these windows, it is possible to then define larger windows for
reference peaks. This will ensure that they will be found, even if
a retention time offset occurs.

NOTE: To display the identification windows, select the peak in the identification

table and select the icon. If the retention time of the peak is
recalculated according to reference peak(s), the window is centered
around the recalculated time.

Cal.: This column selects which peaks are to be calibrated.


There is a link between the identification and the calibration
tables: each peak whose Cal. box is checked is added
automatically in the calibration table.
Ref?: This column appears only if the reference mode is
selected, which is indicated by the checked Reference peaks
box.
To select reference peaks, check the Ref? box in the appropriate
line(s) to indicate that the selected peak is now considered a
reference peak. The theoretical retention times of the peaks will
be corrected according to the difference between theoretical and
experimental retention time of these peaks (see Non-reference
peaks expected retention time).

The reference peaks must be chosen carefully. Reference peaks


must be common constituents that will always appear in the
chromatogram. If a reference peak is not present, another peak
could be incorrectly assigned as the reference peak, and thus,
the identification of the other peaks will be severely affected.
Reference peaks should be easily recognizable. It is better to
choose very high or large peaks, or the last peak of the run (with
the certainty that no other peak will occur afterward).
Mode: This column defines which peak will be chosen if several
peaks are included in the identification window.
• Nearest: the peak will be the one whose retention time
is the closest to the defined time.
• Max height: the peak will be the highest one.
• Max area: the peak will be the largest one.
• First: the peak will be the first peak found in the
identification window.

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• Last: the peak will be the last peak found in the
identification window.
Peaks are always listed in the retention time order.

Identification Process
Peaks are identified by their retention times, according to the
identification window defined by user. In simple cases, peaks
retention times are reproducible from one analysis to the other.
In the case of non-reproducible retention times from one
chromatogram to the other (due to analysis conditions, samples
etc.), identification is more complicated and the definition of
easily identifiable reference peaks is advisable. Galaxie
Workstation will identify in a first step the reference peaks and
will estimate the time offset (according to the retention time) that
will be applied during the identification of the other peaks of the
chromatogram (non-reference).

First, the Galaxie Workstation checks that the identification


windows of the reference peaks do not overlap each other. If
window overlap occurs, Galaxie Workstation resolves the
overlaps, and then the reference peak identification is
processed.

Using the experimental reference retention times, Galaxie


Workstation calculates the other expected retention times,
resolves the non-reference peak window overlaps, and the non-
reference peaks are identified with these retention times and
windows.

Since the reference and non-reference peaks are processed


separately, it is possible to define larger reference windows
because it does not matter if they overlap with the non-reference
identification windows.

Resolving Window Overlap


If peaks are very close together, windows can overlap. This
means that the end of an identification window can occur after
the beginning of the next one. To cope with this problem, Galaxie
Workstation considers the common part of the windows, splits it
in two, and assigns half to each window. For example:

03-914975-00:6 107 of 368


Window A
Window B

Window A Window B

If several successive windows overlap, the system resolves the


first overlap (two first identification windows), then the next two
ones. For example:

Window A
Window B

Window C

When using the relative identification windows (Window %),


window overlaps can occur easily. If problems are encountered
in peak identification, investigate what occurs during the window
overlapping resolution.

General Rule:

The window limit can not go beyond the retention time of the
previous or of the next peak. In this case the retention time of the
previous/next peak is taken into account as the limit of the
window, and the overlap is divided in two. Example1: a peak
retention time belongs to the identification window of another
peak.

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Peak 1: RT1= 1.3 ID window: 0.4 min: [0.9 -1.7]
Peak 2: RT2= 1.7 ID window: 0.45 min: [1.25 -2.15]
Peak 1:

RT 1

Peak 2
RT 2

0.9 1.25 1.3 1.7 2.15

The identification window of Peak 1 becomes: [0.9-1.5] where


1.5 = RT1 + (RT2-RT1)/2

The identification window of Peak 2 becomes: [1.5-2.15] where


1.5 = RT2 - (RT2-RT1)/2

Example 2: a peak window belongs entirely to another.

Peak 1: RT1= 1.7 ID window: 0.45: [1.25 -2.15]

Peak 2: RT2= 1.99 ID window: 0.04 [1.95 -2.03]

RT1
RT2

The identification window of Peak 1 becomes: [1.25-1.97] where


1.97=RT1+(RT2-RT1)/2

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The identification window of Peak 2 becomes: [1.97 -2.03] where
1.97=RT2-(RT2-RT1)/2

Finding Reference Peaks


An identification window is defined for each peak.

A peak is identified as the reference peak if its retention time is


found to be within the reference identification window. If there
are no such peaks, the reference is not found.

If a reference identification window contains several peaks, the


reference peak is chosen according to the selected reference
window mode:
Nearest: the peak will be the one whose retention time is the
closest to the defined time.
Max height: the peak will be the highest one.
Max area: the peak will be the largest one.
First: the peak will be the first peak found in the identification
window.
Last: the peak will be the last peak found in the identification
window.
Once the reference peaks are identified, Galaxie Workstation will
identify the other peaks.

Identification of the Non-Reference Peaks


Generally, the retention times are recalculated according to the
two adjacent reference peaks. The formula for calculating the
expected retention times for the non-reference peaks is:

RT2 − RT1
RT = RT1 + (RTID − RTID1 ) ×
RTID2 − RTID1

Where

RT is the expected retention time for a non reference peak.

RT1 is the real retention time of the reference peak


preceding the peak.

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RT2 is the real retention time of the reference peak
following the peak.

RTID is the theoretical retention time of the peak defined in


the identification table.

RTID1 is the theoretical retention time of the reference peak


preceding the peak, defined in the identification table.

RTID2 is the theoretical retention time of the reference peak


following the peak, defined in the identification table.

If peaks are eluted before the first reference peak: RT1 = RTID1 =
0. The index 2 is attributed to the next reference peak:

RTID
RT = RT2
RTID2

If a peak appears after the last reference peak:

RT1 − RT0
RT = RT1 + (RTID − RTID1 ) ×
RTID1 − RTID0

where RT0 and RT1 represent respectively the real retention


times of the two reference peak eluted before the peak of
interest.

Note that this correction step works best when reference


peaks are distributed throughout the entire chromatogram.
In particular, be careful when using references that elute only at
the beginning of a long run. They have a too strong impact on
retention times at the end of the run. To minimize this effect,
define a reference peak at the end of the run.

Once the system has calculated expected retention times for the
remaining peaks, it centers the calculated identification windows
on these times. If any windows overlap, the system will resolve
the conflicts.

If several peaks fall within a window, the correct peak is chosen


according to the selected identification mode:

03-914975-00:6 111 of 368


Nearest: the peak will be the one whose retention time is the
closest to the defined time.
Max height: the peak will be the highest one.
Max area: the peak will be the largest one.
First: the peak will be the first peak found in the reference
window.
Last: the peak will be the last peak found in the reference
window.
Note that if a reference peak is not found, its retention time will
be the retention time set in the identification table, as if it had not
shifted at all, therefore the identification of the peaks placed
between the previous and the next reference peak may be
affected.

If no reference peak is defined or found, peaks are identified by


the retention times set in the identification table. Each peak
retention time is compared to the identification window defined in
the identification table.

Example:

For example, assume that three peaks exist in a chromatogram


with theoretical retention times (saved in the identification table)
of 5, 6, and 10 minutes.

When the sample is analyzed, the retention times have shifted to


6, 7.2, and 12 minutes. If the identification windows are 0.5
minutes wide, and reference peaks are not used, the peaks will
not be identified.

However, if the last peak at 12 minutes is defined as the


reference peak, and it elutes 1.2 times later than the defined
theoretical retention time of 10 minutes, the expected retention
times for the two other peaks (non-reference peaks) can be
calculated.

First peak: 5 x 1.2 = 6 minutes.

Second peak: 6 x 1.2 = 7.2 minutes.

The first two peaks can now be identified correctly with these
new corrected retention times.

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Peak re-identification
If a peak is bad identified by Galaxie (due to a retention time shift
for example), the user can re-identified it . Select the peak to re-
identify in the chromatogram picture, then in the context menu,
select the ‘Re-identification’ option. The following screen is
displayed:

Select in the Peak name field the name to assign to the selected
peak. If you want that the software applies the retention time shift
to the rest of the peaks listed in the identification table and to the
group limits, select the ‘Apply shift to all peak retention times and
group limits’ option. Note that the shift applied to the calculation
of other peaks retention times or group limits is proportional to
the time.

Group Identification

Result Groups and Calibration


Groups
There are two types of groups: Result groups and Calibration
groups.

• The result group adds the integration and


quantification results of the compounds eluted in the
time interval selected and /or the named peaks. The

03-914975-00:6 113 of 368


results are displayed in a table, displayed in the
"results /group report" section of the chromatogram.

• The calibration group allows the user to quantify a


group of peaks from a calibration curve or response
factor. Galaxie Workstation considers that all the
integrated peaks present in the defined time period
represent a single peak. A global calibration curve is
built (or a global response factor entered in the
calibration table) for the group. During this process,
Galaxie Workstation calculates a global quantity for
the group (displayed in the group report), then sub-
divides this quantity by peak according to its area
percentage in the group and displays the individual
results in the peak report: the ratio between peak
quantity and the group quantity corresponds to the
ratio between the peak area and the group area.

Do not forget to check the Cal. Box of each calibration


group to be added in the calibration table. An interactive link
exists between the peak and group identification tables and
the calibration table.

Identification of the Groups


Peaks are added to a group based on their retention time or their
name. It is possible to define a retention time interval (all peaks
or to select the name of the peaks to be added.

To add a group:
1) Click on Group identification in the browser.
2) Press the right mouse button in the group identification
table.
3) In the popup menu, select ADD / RESULT GROUP or ADD
/ CALIBRATION GROUP.
4) Click in the Parameters column (left mouse button), and the
Group identification dialog box appears.
5) In the Range page, enter the time limits of the intervals
containing the peaks, or select them by dragging their name
into the Peaks page.
• For the result group, all results (area, height, quantity,
etc.) of peaks belonging to the time range defined in the

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Range page and those named in the Peaks page are
added.

NOTE: If 10 peaks are integrated within the time range of the group and only 3 are
identified and quantified, then the group area will be the sum of the 10
peak areas. However, the group quantity will be the sum of the 3 peaks
quantities (the quantity of the other 7 is considered to be equal to zero).

• In the calibration group case, by default the identified


peaks whose retention times belong to the time range
defining the group, are excluded from the group. To
include them, select the option 'Include named peaks' or
select their names in the page 'Peaks'.

6) Press OK.

In both group type (result and calibration), the time limits can be
defined relative to a peak: Check the box ‘Relative time from
peak’ and choose the name of a peak from the corresponding
drop list: the identification windows are defined based on the
experimental time of this peak in the chromatogram. For
example, to define a time range starting 2 minutes before the
chosen peak and finishing 3 minutes after, define –2 and 3 in the
time table and select the name of the peak.

NOTE: When reference peak(s) is (are) defined, the group interval time (based
on a peak retention time) is calculated according to the recalculated peak
retention time and not based on the theoretical one defined in the
identification table. Therefore, correction of the shift of the retention times
may be performed.

The Group Identification Table


The group identification table contains four columns:
Group Name: Specifies the name of the group.
Group type: Specifies whether the group is a result or a
calibration group, which will induce the type of calculation that
will be done for the group. It is possible to change it by accessing
the list box.
Parameters: Defines the time limits (there can be several
ranges) and/or names of the peaks to be added in the group.

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Cal.: This column specifies the calibration groups to be
quantified. A link exists between the group identification and the
calibration table: each calibration group whose corresponding
Cal. box is checked is listed in the calibration table.
It is possible to either clear the entire table with the DELETE
ALL popup menu (right click within the table) or delete single line
as needed.

Quantification / Calibration

The aim of this step is to define the calibration parameters.

It is possible to work in two different calibration modes: Quantity


versus Response or Response versus Quantity. The choice is
done in the Configuration Manager.

Click on the calibration method in the browser to define the


calibration parameters (or select the METHOD / PARAMETERS
menu, or use the Ctrl+B key combination).

Now, define the different parameters for calibration: calibration


type, response, factors, unknown compounds quantification, etc.,
proposed in the following screen.

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Calibration Method Building
Steps to be followed in order to define a calibration method:

1. In the Type section, select the calibration type. This


selection determines how the quantification is calculated:
Response %, Normalization, External Standard, or
Internal standard.

To work with simple Response%, the calibration method


is ready. For all other choices, additional parameters will
need to be defined.

To work within the normalized mode (= external standard


+ normalization at a fixed percentage), check the
Normalization option and enter the percentage value that
the quantities will be normalized to in the ‘Normalize to’
field. By default, the results are normalized to 100
percent. User can also check the External standard and
the Normalize to cases, and enter the normalization
percentage to obtain the same results.

It is also possible to Normalize results in internal


standard mode of calibration: check the ‘Internal
standard’ and ‘Normalize to’ cases and enter the
normalization percentage.

2. Define the response factor in the Factors field:

• Manual: if the response factor is known.

• Curve: if the response factor is not known and


that a calibration curve must be built.

• Both: If some components have known


response factors and others need the building of
a calibration curve.

NOTE: If Curve or Both factor is selected, do not forget to enter a calibration curve
name or to select an existing calibration curve by pressing the button
in the Calibration Curve section.

3. Specify the Response Unit in the corresponding field:

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• Curve unit: select Curve unit and precise this unit
in the Standard Unit field (ppm, g/L, etc.)

• Mass%: To divide all the quantities by the


sample mass (to display in the chromatogram
properties) and multiply them by 100.

• Mass ratio: To divide all the quantities by the


sample mass (to display in the chromatogram
properties).

Note that in Normalization, only Curve unit is available.

4. In the Response section select the response mode. This


selection determines how the peak will be processed-
either by area, by height, by % area, % height, by
area1/2or by height1/2.

5. Configure the calibration table parameters:

• Use references: This option allows processing of


one or several compounds listed in the table as
another compound defined in the table which means
with the same response factor or the same
calibration curve. Enter in the ‘Ref?’ Column the
name of the reference peak.

• 1/RF: This option allows user to enter inverse


response factor.

• Define Qty intervals: This option allows user to


define the interval in which Galaxie Workstation
must calculate the quantity of a compound, in the
case of several solutions (polynomial models).
Check the Use qty interval box for the concerned
peaks, and enter the interval limits in ‘Qty min’ and
‘Qty max’ columns. If several solutions exist and this
option is not selected, Galaxie Workstation
proposes the first strictly positive solution.

• Level number: to use for calibration building (curve


or both factors). Enter the level number to use. The
corresponding column number is displayed. The
user has to complete those columns with the
quantities associated to the level.

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• Average level: When at least one calibration curve
must be built, this option averages all the points of
the same level before calculating the regression
equation.

• Levels format: this option allows user to modify the


display format of the level entered in the table.

6. Calibration table filling: The content of the calibration


table depends on the parameters selected: Calibration
type, Response factor, Use reference, 1/RF, Define Qty
intervals. The list of the columns that can be displayed is
detailed underneath:

• Component: Lists the name of peaks and


calibration groups to quantify in the table.

If the Cal. Is checked for peaks and calibration


groups in the peak and group identification parts in
the method, they are automatically listed.

If all peaks and calibration groups (defined in the


identification tables) must be listed in the calibration
table, click onto the Initialize from ID tables button.
All the Cal cases will be automatically checked in the
identification tables. An interactive link exists
between identification tables and calibration table.

Note that peaks are listed in chronological order.


Calibration groups are listed after the peaks, by
definition order.

• ISTD?: This column is displayed if the Internal


Standard calibration type is selected. It allows
definition of which (whose) component(s) is (are)
internal standard(s).

• (0;0): This column is displayed if the calibration type


is Normalization, External Standard or Internal
Standard and that the response factor is curve or
both. It allows the user to force the curve pass
through the point (0,0).

• Add(0,0)?: This column is displayed if the calibration


type is Normalization, External Standard or Internal

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Standard and that the response factor is curve or
both. It allows the user to use the point (0,0) as a
calibration point for the curve building. The curve will
not necessarily pass through the origin, but the
origin in taken into account for the calibration curve
equation calculation.

• ISTD Name: This column is displayed if the Internal


Standard calibration type is selected. It allows
association of internal standard to each peak or
calibration group.

• Ref: This column is displayed if the Use references


option is selected. It allows definition of the peaks
which will be used as reference for the quantification
of other ones.

• Model: This column is displayed if the calibration


type is Normalization, External Standard or Internal
Standard and that the response factor is curve or
both. It allows definition of the mathematical model
used for the calibration curve building.

• Weighting: This column is displayed if the


calibration type is Normalization, External Standard
or Internal Standard and that the response factor is
curve or both. Weighting of points during the
calibration curve building may be defined.

• Level i: This column is displayed if the calibration


type is Normalization, External Standard or Internal
Standard and that the response factor is curve or
both. It allows to define the quantity of the
compound for the calibration level i. If the compound
is missing from the standard sample, enter ‘-‘ in the
calibration table. No point will be added in the
corresponding calibration curve for that level.

• Response factor or 1/RF: This column is displayed


if the calibration type is Normalization, External
Standard or Internal Standard and that the response
factor is curve or both. The factor response of the
compound or its reverse if the 1/RF option is
selected may be defined.

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• Manual factor: This column is displayed if the
calibration type is Normalization, External Standard
or Internal Standard and that the response factor is
both. Components that will have a response factor
may be defined.

• Use Qty interval: This column is displayed if the


Define Qty intervals option is selected. It allows the
user to choose for which components(s) a quantity
calculation interval is defined (useful when
polynomial model is used, because several solutions
can exist).

• Qty min: This column is displayed if the Define Qty


intervals option is selected. It allows definition of the
inferior limit of the interval.

• Qty max: This column is displayed if the Define Qty


intervals option is selected. It allows definition of the
superior limit of the interval.

7. Define then the way the unknown compounds


(integrated peaks but not identified) are quantified. Two
options are proposed: quantify all unknown compounds
similarly by selecting the Identicals tab, or according to
retention time intervals by selecting the Groups tab.

Identical process for all unknown peaks:

• Choose None in the ‘Unknown compounds’ field


to not quantify unknown peaks. The quantity of
unknown peaks displayed in the result table is
equal to 0.

• Choose Reference component to quantify


unknown compounds by the same way as a
peak present in the calibration table, and select
the name of this peak in the scrolling list. If the
calibration type is ‘Internal standard’, the internal
standard associated is the one associated to the
selected peak.

• Choose Response factor to quantify unknown


compounds according to a response factor (RF
or 1/RF whether the option 1/RF is selected or

03-914975-00:6 121 of 368


not) and enter the value of the response factor in
the corresponding box. If the calibration type is
‘Internal standard’, select the name of the
associated internal standard.

Unknown peaks process according to their retention


time:

• Define the interval number in the ‘Groups’ tab, by


activating the + and – buttons, and enter the start
and the end of each group in minutes. Then enter
for each group the way the peaks will be quantified
(see previous paragraph).

The Response Mode


First, choose the response mode, to indicate whether the
responses are a function of the area, height, area %, height %,
area1/2or height1/2 of the peaks.

By default, quantities are a function of the peak areas.

The Calibration Type


There are four options for calibration: response percentages,
external standard, internal standard, and normalization. (The
normalization type corresponds to a normalization in external
standard.)

Response Percentage
This is the simplest calibration mode, which is calculated based
on the assumption that all integrated peaks have a response
factor of 1, and therefore, the quantity associated with each peak
corresponds to the ratio of its response (area, height, area%,
height %, area1/2or height1/2) over the sum of the response of all
peaks.
The quantity Q of a compound is
R
Q= ×100
∑R
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where
R is the response (area, height, area%, height %, area1/2or
height1/2) of the peak.

∑R is the sum of the responses of the chromatogram peaks.

NOTE: When the results are normalized, the divisor factor and the multiplier
cannot be used to modify the quantities.

NOTE: In response percentage mode, the results are always expressed in


area% independently of the response mode: area or area%, area1/2 (also,
for height and height%, height1/2 , the results are always expressed in
height %).

External Standard
Three response factor types are available: Manual, allowing user
to manually enter the response factor of every peak to be
quantified; Curve, allowing the building of calibration curves for
all peaks; Both, allowing the use of both curve and manual
factors within the same method.

Manual Response Factors:


Choose manual in the factors box.
In the case of manual response factors, the quantity Q of a
compound is
M
Q = RF × R ×
D
where
RF is the response factor of the compound read from the
calibration table.
R is the response (area, height, area % or height %, area1/2or
height1/2) of the peak.
D is the divisor factor.
M is the multiplier.
Select Curve unit in the response unit list box in order not to
express the results in mass ratio or percentage, but in the same
defined unit.
When the quantities are calculated, they can be manipulated as
follows:
03-914975-00:6 123 of 368
ƒ They can be expressed in mass ratio relating to the sample
mass:
The quantity Q of a compound becomes
RF × R M
Q= ×
m D
where
RF is the response factor of the compound.
R is the response (area, height, area %, height %, area1/2or
height1/2) of the peak.
m is the mass of the sample (entered prior to acquisition,
editable and modifiable in the chromatogram properties).
D is the divisor factor.
M is the multiplier.
To express the results in mass ratio, select Mass ratio in the
Response unit list box.

ƒ They can be expressed in mass percentage relating to the


sample mass:

The quantity Q of a compound becomes

100 M
Q = RF × R × ×
m D
where
RF is the response factor of the compound.
R is the response (area, height, area %, height %, area1/2or
height1/2) of the peak.
m is the mass of the sample (entered prior to acquisition and can
be edited or modified in the chromatogram properties).
D is the divisor factor.
M is the multiplier.
To express the results in mass percentage, select ‘Mass %’ in
the Response unit list box.

ƒ They can be normalized to any strictly positive real number,


up to 100. If this real number is Norm:

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The quantity Q of a compound is

RF × R
Q= × Norm
∑ (RF × R)
where
RF is the response factor of the compound.
R is the response (area, height, area %, height %, area1/2or
height1/2) of the peak.
Norm is the value of percentages normalization.

NOTE: As the results are normalized up to Norm, the divisor factor and the
multiplier cannot be used to modify the quantities.

To obtain normalized results, check the Normalization box and enter the
expected percentage.

NOTE: An alternative processing method is to choose the Normalization response


type and then define the normalization percentage in the corresponding
box.

NOTE:If the 1/RF option has been selected, user enter the value of the inverse
response factor in the calibration table and Galaxie Workstation will
calculate the value of the corresponding RF in order to apply the same
calculations.

Curve Factors

Choose Curve in the “Factors” box.

In case factors are read from a curve (Factors=curve), the


calibration curve must first be built .

Calibration curve building:

When a calibration point is added to the curve, its coordinates


are the response of the compound and the associated quantity.

q curve = Q enter in the calibration table.

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NOTE: The multiplier and the divisor factor are not taken into account for the
calibration curve building, except if the connected user own the
corresponding profile (to define in Galaxie Configuration Manager).

NOTE:If the response unit is ‘Mass ratio’ or ‘Mass %’, do not forget to enter a
sample mass in the chromatogram properties, otherwise the Galaxie
Workstation will not be able to build the calibration curve (even if the mass
is not taken into account for the calibration curve building).

Quantification of unknown samples

The quantification of unknown samples is made using the


calibration curve: a response corresponds to a quantity.

Quantity versus response or Response versus quantity

The quantities read from the calibration curves are then


corrected with M and D factors and turned into mass ratio or
mass percentages:
If the Response unit is Curve unit:
M
Q = q curve ×
D
If the Response unit is Mass ratio:

126 of 368 Galaxie Chromatography WS User’s Guide


q M
Q = curve ×
m D
If the Response unit is Mass percentage:
q curve M
Q= × × 100
m D
Results can also be normalized:
The quantity QNorm of a compound is:
Q
Q Norm = × Norm
∑Q
M
where Q = q curve × Q istd ×
D

∑ Q is the sum of the quantities of the peaks.


For both mass ratio and mass% unit, m is the mass of the total
sample including the internal standard mass(es) (entered before
acquisition, editable and modifiable in the chromatogram
properties).

Both Factors

It is possible to work both with manual factors and calibration


curves for the same chromatogram: Choose Both in the Factor
zone. In the calibration table, the boxes in the column “Manual”
must be checked for the compound whose factor is entered
manually, then enter the manual factors in the corresponding
column. For the other compounds, fill all the Level columns.

Note that the multiplier and the divisor factor are not taken
into account for the standard calculation. (Calibration
curves building), except if the connected user own the
corresponding profile (to define in Galaxie Configuration
Manager).

Internal Standard
The purpose of the internal standards is to compensate for the
amount of injected sample when it can vary. If there are several

03-914975-00:6 127 of 368


internal standards, it is necessary to choose which internal
standard is associated to each of the compounds.

As for external calibration mode, it is possible to use manual


response factors, curve factors or both. Whichever process is
selected, the user must still enter the quantity of the internal
standard(s) for each chromatogram. These quantities can be
entered:
- in the acquisition window for a Quick Start
- in the 'Istd values' column for a sequence or a
reprocessing list.
- In the chromatogram properties for a single reprocessing
(see page 286).

NOTE: When working in a curve factor unit, don't enter the internal standard
quantity(ies) in the corresponding line of the calibration table; these
values will be ignored.

In order to reprocess a chromatogram where the quantification method is


different from internal standard (% response or external standard), using
the reprocessing single function, 2 steps must be performed:

First, reprocess the chromatogram as an unknown with the internal


standard calibration method (in the 'method file' box). This step allows the
user to define which compound(s) is/are internal standard(s).

Second, reprocess a second time the sample as an unknown or level,


and enter the quantity of the internal standard(s) in the chromatogram
properties.

Manual Response Factors:

Choose manual in the “Factors” box.

The response factors to enter are Relative factors - means


the response factor of the peak divided by the response factor of
the associated internal standard. The response factor of the
internal standard must thus be equal to 1.

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In case of manual response factors, the quantity Q of a
compound is

R M
Q = Q istd × RF × ×
R istd D
where
Qistd is the quantity of the associated internal standard, entered
by user.
RF is the relative response factor of the compound.
R is the response (area, height, area%, height%, area1/2or
height1/2) of the peak.
Ristd is the response (area, height, area%, height%, area1/2or
height1/2) of the associated internal standard.
D is the divisor factor.
M is the multiplier.
Select Curve unit in the response unit list box to express the
results in user unit (g/L, ppm, etc.)

ƒ Quantities can be expressed in mass ratio, relating to


the sample mass:

The quantity Q of a compound becomes

Q istd R M
Q= × RF × ×
m R istd D
Qistd is the quantity of the associated internal standard, entered
by user.
RF is the relative response factor of the compound.
R is the response (area, height, area%, height%, area1/2or
height1/2) of the peak.
Ristd is the response (area, height, area%, height%, area1/2or
height1/2) of the associated internal standard.
D is the divisor factor.
M is the multiplier.
m is the mass of the total sample including the internal standard
mass(es) (entered prior to acquisition editable and modifiable in
the chromatogram properties).

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To express the results in mass ratio, select Mass ratio in the
Response unit list box.

NOTE: It is possible to remove the internal standard quantity(ies) for the final
result by checking the subtract ISTD mass box. The quantity of each
internal standard is then equal to 0 and the mass “m” used for the division
is the total mass of the sample entered by user minus the sum of the
internal standard quantities.

ƒ Quantities can be expressed in mass percentage,


relating to the sample mass:

The quantity Q of a compound becomes

R 100 M
Q = Q istd × RF × × ×
R istd m D
where
Qistd is the quantity of the associated internal standard, entered
by the user.
RF is the relative response factor of the compound.
R is the response (area, height, area%, height%, area1/2or
height1/2) of the peak.
Ristd is the response (area, height, area%, height%, area1/2or
height1/2) of the associated internal standard.
D is the divisor factor.
M is the multiplier.
m is the mass of the total sample including the internal standard
mass(es) (entered prior to acquisition editable and modifiable in
the chromatogram properties).

NOTE: It is possible to remove the internal standard quantity(ies) for the final
result, by checking the subtract ISTD mass box. The quantity of each
internal standard is then equal to 0 and the mass “m” used for the division
is the total mass of the sample entered by user minus the sum of the
internal standard quantities.

To express the results in mass percentage, select ‘Mass %’ in


Response unit list box.

ƒ Quantities can be normalized to any strictly positive real


number, up to 100. If this real number is Norm:

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Q R M
Q' = × Norm where Q = Q istd × RF × ×
∑Q R istd D

Q is the quantity of the compound before normalization, and ΣQ


is the sum of the quantities of the compounds before
normalization. If the box Subtract istd mass is checked, the
quantities of the internal standard(s) will be zero and will not be
taken into account in ΣQ.

Note that as the results are normalized up to Norm, the divisor


factor and the multiplier cannot be used to modify the
quantities.

NOTE: If the option 1/RF has been selected, the user enters the
value of the inverse response factor in the calibration table,
Galaxie Workstation calculates the value of the corresponding
RF, and then applies the same calculations.

NOTE: It is possible to express the results removing the internal standard


quantities by checking the subtract ISTD mass option. This option is
available with the three possible response units: curve unit, mass ratio
and mass%. In the case of the response in curve unit, the quantity of
internal standards in the result table is equal to 0, and not included in the
total quantity displayed.

In the case of the response is mass ratio or mass %, the quantity of


internal standard displayed in the result table is equal to 0, and for the
calculation of the quantity of the other peaks, the mass taken into account
is the mass entered by the user minus the sum of the quantities of the
internal standard compounds.

So the mass to enter is the sample mass after the addition of internal
standard(s).

In the case of normalization, if the box Subtract ISTD mass is checked,


the quantity of internal standard(s) is 0, and not included in ΣQ .

Curve Factor

The relative response factors (response factor of the peak


divided by the internal response factor) can be calculated from a

03-914975-00:6 131 of 368


calibration curve. For a compound or a calibration group, the
quantity corresponding to the response is read from the
calibration curve. This means that a calibration curve must first
be built.

Calibration curve building

When a calibration point is added to a curve, its coordinates are


the relative response of the compound and the relative
associated quantity. The response is the response of the
compound divided by the response of the internal standard. The
relative quantity is the quantity entered for the compound in the
calibration table divided by the internal standard quantity.

Q
q curve =
Q istd

Q is the quantity of standard entered in the calibration table.

Qistd is the quantity of the internal standard entered in the


acquisition window (Quick Start or sequence). Qistd can be
modified in the chromatogram properties.

Note that the multiplier and divisor factors are not taken into
account for the calibration curve building, except if the
connected user own the corresponding profile (to define in
Galaxie Configuration Manager).

Quantification of unknown samples

q curve

Quantity versus response

132 of 368 Galaxie Chromatography WS User’s Guide


Response versus quantity
For unknown samples, the calculation is the same as for the
manual factor mode, except that the quantity ratios are read from
the curve.

Those quantities are then corrected with the factors M and D and
q curve can be expressed as mass ratio or mass percentages:

If the Response unit is Curve unit:

M
Q = q curve × Q istd ×
D

If the Response unit is Mass ratio:


q × Q istd M
Q = curve ×
m D

If the Response unit is Mass percentage:


q curve × Q istd M
Q= × × 100
m D
For both mass ratio and mass% unit, m is the mass of the total
sample including the internal standard mass(es) (entered before
acquisition, editable and modifiable in the chromatogram
properties).

NOTE: It is possible to express the results after removing the internal standard
quantities by checking the subtract ISTD mass option. This option is
available with the three response unit proposed: curve unit, mass ratio
and mass%. In the case of the response in curve units, the quantity of
internal standards in the result table is equal to 0, and not included in the
total quantity displayed.

In the case of the response in mass ratio or mass %, the quantity of the
internal standard displayed in the result table is equal to 0, and for the
calculation of the quantity of the other peaks, the mass taken into account
is the mass entered by the user minus the sum of the quantities of the
internal standard compounds.

The mass to enter is the sample mass after the addition of internal
standard(s).

03-914975-00:6 133 of 368


In the case of normalization, if Subtract ISTD mass is checked, the
quantity of internal standard(s) is 0, and is not included in ΣQ .

Both Factors

It is possible to work with both manual factors and calibration


curves for the same chromatogram: Choose Both in the Factor
zone. The boxes in the column Manual must then be checked for
the compound whose factor is entered manually in the calibration
table.

Note that the multiplier and the divisor factor are not taken
into account for the standard calculation (calibration curves
building), except if the connected user own the
corresponding profile (to define in Galaxie Configuration
Manager).

Normalization
The normalization mode allows the user to calculate the ratio
between each peak quantity, quantified using external calibration
and the sum of all peak quantities, quantified using the same
mode.

Note that the result is the same as the one obtained when
selecting External calibration, checking normalization and
defining a percentage in: .
The quantity QNorm of a compound is
Q
Q Norm = × Norm
∑Q
where
Q is the quantity of the peak (calculated as described in the
previous sections of the manual, according to the response
mode: curve unit or manual factors)

∑ Q is the sum of the quantities of the chromatogram peaks.


Norm is the value to which the percentages are normalized. By
default, they are normalized to 100. Note that as the results are
normalized to Norm, the divisor factor and the multiplier cannot
be used to modify the quantities.

134 of 368 Galaxie Chromatography WS User’s Guide


Response Factor Calculation: RF
The response factor is a variable calculated automatically by the
Galaxie Workstation, equal to the quantity divided by the
response. A response factor is calculated for each peak or
group quantified, whatever, the mathematical model defined in
the case of ‘Curve’ factor.

The response factor of an unknown sample does not take into


account:
• Multiplier factor
• Diviser factor
• Normalization factor
• Sample mass

Galaxie Workstation proposes two variables ‘RF’ and


‘recomputed RF’, calculated as described in the following table:

CURVE factor MANUAL factor


Sample RF RF_Rec RF RF_Rec
Type
Standard Qty table Qty curve RF table Qty
Response Response Response

Unknown Qty curve Qty curve RF table Qty


Response Response Response

Where Qty table is the quantity entered by the user in the


calibration table, Qty curve is the quantity given by the calibration
curve, and Qty is the quantity calculated by Galaxie without
taken into account the multiplier and divisor factors, the
normalization factor and the sample mass.
In the case of internal standard, the calculated response factor is
the relative response factor. It is equal to the ratio of the
compound RF divided by the RF of its internal standard. The
response factor of the internal standard is thus equal to 1.

A variable named RRF can also be displayed in the result table.

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Unknown Peak Processing

Unknown peaks (integrated but not identified) can be either all


processed in the same way by using ‘Identical’ tab, or processed
by groups defined according to time periods by using the
‘Groups’ tab.

Identical process for all unknown peaks:

It is possible to process unknown compounds in three different


ways:

• No processing: Choose None in order not to quantify


unknown compounds. A response factor of zero will be
assigned for all unknown peaks.

• Reference component: In this case, the unknown


samples will have the same response factor as the one
specified in the list box. The reference peak is listed in
the calibration table.

• Response factor: In this case, the unknown samples


will have the response factor specified in the edit box, by
default, this factor is one.

NOTE: If the calibration mode is Internal standard, and if unknown peaks are
processed with a response factor, it is necessary to choose the internal
standard to be associated with unknown peak(s) in the internal standard
box. Only one choice is available for all the unknown peaks.

Unknown Peaks Process According to retention time (groups)

136 of 368 Galaxie Chromatography WS User’s Guide


It is possible to divide the chromatogram into time periods, and
to process each period (group) differently. The group number is
defined by activating + and – buttons. For each group, define the
time period, and then choose the process to apply. The options
proposed are the same as the ‘Identical’ tab ones.

NOTE: It is possible to configure the format (number of significant digits, scientific


format) of the group time limits and of the RF variable. Put the mouse
cursor on the variable box that is to have its format changed, click on the
right mouse button and select the ‘Edit Variable XXX’ option in the popup
menu (XXX represents the variable name).

The variable screen is displayed and only allows the modification of the
format for the selected variable.

The Calibration Table: as a


Preliminary Step to a Calibration
Curve Building
In the cases where the Curve and Both factors have been
selected, the calibration table has to be completed.

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If user has checked the Cal. Boxes for peaks and calibration
groups in the identification table, the names of these peaks and
groups to be quantified are automatically imported into the
calibration table. If a user wants all of the defined peaks and
calibration groups to be imported into the calibration table,
without checking all the corresponding Cal boxes, he must click
on the Initialize from ID table's button.

A Control Sample column is displayed in the table it allows the


user to realize a suitability test on a control sample, by
comparing the experimental quantity of the peak (in the control
sample chromatogram) to the value defined in the table. Note
that this value is theoretical and does not correspond to a
calibration point.

Peaks are listed according to their retention time, calibration


groups are displayed at the end of the list in their creation order.

A name must be defined in the Calibration Curve box, which is


the name of the calibration file. This file will contain the curves
for all the compounds defined in this table.

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The number of calibration levels must be specified in the Level
number box, the corresponding column number will be
displayed. The user must complete the table.

ƒ Model: several mathematical regression models are


available:

Point to point: The calibration curve is composed of lines


drawn between the calibration points.

Polynomial: It is possible to modify the order of the


polynomial. A calibration curve can be modeled with up to a
5th order polynomial. The regression polynomial can be
forced through zero (for example, in the case of a one-point
calibration, the polynomial will be of order one and forced
through zero).

If there are not enough points for calculation (e.g. only one
point available for a 2nd order polynomial), the order of the
polynomial is reduced and a message is displayed in the
panel (below the polynomial coefficients).

Power: This is a y=axb model.

Exponential: this is a y=a ebx model.

Logarithm: this is a y=a + b ln x model.

Average RF: Environmental laboratories in the USA


routinely use a number of EPA approved methods and
report formats for GC and GC/MS determination of analytes
in matrices such as soil, air or water. Many of these
methods require the use of the average response factor. To
fit that need, Galaxie provides a special model called
Average RF.

If that model is chosen, it will imply automatically a linear


model, force (0, 0) and 1/x2 weighting for the curve building.
When the Averaged RF model is chosen, the other options
which are set automatically cannot be changed until the
calibration mode is changed.

ƒ (0;0)?: Force the curve to go through (0;0).

ƒ Weighting: different weighting models are available:

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None: Gives the same importance to all calibration points.
x: This model calculates each calibration point using a
weight proportional to the abscissa of the curve.
x2: This model calculates each calibration point using a
weight proportional to the square of the abscissa.
1/x: This model calculates each calibration point using a
weight proportional to the inverse of the abscissa.
1/x2: This model calculates each calibration point using a
weight proportional to the square of the abscissa inverse.
log x: This model calculates each calibration point using a
weight proportional to the decimal logarithm of the abscissa.
ln x: This model calculates each calibration using a weight
proportional to the natural logarithm of the abscissa.
1-N: In this model, the weight of each new point is equal to
the sum of previous point weights. For example, for 5 points,
the weights are respectively: 1, 1, 2, 4, and 8.

ƒ Level i: the user must enter the quantity of each peak or

group for every calibration level. The button


allows selection of the number format.

ƒ Average levels: if this option is checked, the Galaxie


Workstation will average all calibration points of the same
level (by compound) before building the calibration curve.

ƒ 1/RF: If this case is checked, the user has to enter the


inverse of the RF (if manual response factor mode is used)
in the corresponding column of the calibration table, and in
the unknown compounds process field, if the unknowns are
processed with manual response factor.

ƒ Use references: a column ‘Ref’ appears. This option allows


one or several compounds listed in the table to use the same
calibration as another compound defined in the table that
means with the same response factor or the same
calibration curve. Enter in the ‘Ref.’ Column the name of the
reference peak.

ƒ Define Qty intervals: three more columns are displayed,


‘Use qty interval’, ‘Qty min’ and ‘Qty max’. This option allows

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user to define the interval in which the Galaxie Workstation
must calculate the quantity of a compound, in the case of
several solutions (polynomial models). Check the ‘Use qty
interval’ box for the concerned peaks, and enter the interval
limits in ‘Qty min’ and ‘Qty max’ columns. If several
solutions exist and this option is not selected, the
Galaxie Workstation uses the first strictly positive
solution.

A Few Examples for Calibration


If you are not sure of how to configure the calibration method,
please review the following examples which may be helpful.

External Standard with calibration curve building

To perform an external calibration, create a calibration curve for


each compound of interest using standard samples. The
amounts of each analyte in the standard samples for each level
must be entered in the calibration table. These calibration
curves are then used to determine the amount of each analyte in
unknown samples.

The results for unknown samples are expressed in the same unit
as the calibration samples.

How to proceed
First, define the peak identification table.
Then, in the calibration method:
Choose External standard as the calibration type.
Choose the response (Area, Height, Area %, Height %,
area1/2or height1/2) to be used.
In the Factors area, choose Curve (since response factors
are not yet known).
In the calibration curve area, define the name of the curve to
be built (or choose an already existing curve name using the
open file box).
Press the Initialize from ID table's button to import all the
identified peaks, or check the Cal. Box of each peak of
interest in the identification table to make the import
automatically.

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Above the calibration table, enter the number of calibration
levels to be used and then specify the quantities of the
compounds for each level in the calibration table. Each
calibration level corresponds to a calibration standard.
The calibration method is ready.

To specify response factors relative to a reference compound, a


user must create variables. Two cases are treated according to
the reference compound remains the same or not.

How to proceed

Fixed reference compound: For example, if this reference


compound name is ‘Benzene’, a variable called ‘Relative RF’
must be created, which would be a peak variable with the
following formula: “RF/RF(‘Benzene’)”, then the relative response
factors can be displayed in the peak result table.

Variable reference compound: Two variables must be created.


The first one could be called ‘Ref Name’, which would be a
global and user input variable. The second one could be called
‘Relative RF’, which would be a peak variable with the following
formula: “RF/RF(Ref Name)”. A default value (name of the
reference compound) can be specified in the acquisition method
and the reference compound can be changed before each run in
the acquisition window. The relative response factors can then
be displayed in the peak result table.

Normalization to a Value

The sum of the compounds present in the sample to analyze


represents a well known percentage of the mother solution (50%
for example). The response factors of peaks to quantify are
known.

The results should be expressed in quantity percentages.

How to proceed
First, specify the peak identification table.
Then in the calibration method:
Choose Normalization as the calibration type.
Choose the response (Area, Height, Area %, Height %,
1/2 1/2
area or height ) to be used.

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In the Factors area, choose Manual (since the response
factors are not yet known).
In the next edit box (Normalize to); enter the value to which
the results should be normalized.
Press the Initialize from peak ID table button to import all the
identified peaks, or check the Cal. Box of each peak of
interest in the identification table to make the import
automatically.
In the calibration table, specify the response factors for each
of the peaks and calibration groups.
The calibration method is ready.

NOTE: If you want to quantify unknown compounds and give them a response
factor of 1, select in the unknown compounds zone response factors and
enter 1.

Build a method to analyze sample owning defined peaks and groups in


internal standard calibration type. The user knows the relative RF of each
peak and calibration group. Unknown peaks are processed with the RF of
an identified peak.

The results should be expressed in percentages of total sample weight.

How to Proceed

First, specify the peak and group identification tables, take care
to specify Calibration groups for the groups containing only the
peaks that must be quantified with the same response factor.

Then in the calibration method:


Choose Internal standard as the calibration type.
Choose the response (Area, Height, Area %, Height %,
area1/2or height1/2) to be used.
In the Factors area, choose Manual (since the response
factors are already known).
In the Response unit zone, choose Mass % (since the
responses are to be divided by sample mass and multiplied
by 100).
In the Unknown compounds zone, select the identical tab,
check Reference component and choose the name of the
reference component.

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Press the Initialize from ID table button to import all the
identified peaks, or check the Cal. Box of each peak of
interest in the identification table to make the import
automatically.
In the calibration table, specify the internal standard and the
response factors of each peak and calibration group.
The calibration method is ready.

If the internal standard quantity is strictly the same for standards


and unknowns, you should enter this quantity in the method
acquisition part before chromatogram acquisition. Enter a default
value and then specify the internal standard when preparing the
acquisition, alternatively enter the quantity one by one in the
Quick Start window or in the sequence.

Formats

This section, accessible from the method or using the shortcut


Ctrl+F, allows configuration of chromatogram, peak table and
groups table formats.

The Peak Table Format


The aim of the option is to configure the columns to display in the
peak results table. Click on the Edit button in the ‘Peak report’
part.

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The following screen is displayed:

NOTE: This screen is also accessible from the result peak table. Click on the right
mouse button in the table, and choose REPORT PROPERTIES in the
popup menu. The peak report properties appear.

This screen is composed of three sections:


Displayed columns: Displayed columns: In this section,
the variables to display in the result table are listed in the
right order.
Available columns: In this section, the variables calculated
by the Galaxie Workstation are displayed. In order to make
the software calculate another variable, define the variable in
the variable editor (peak variable), and then it will appear in
the available columns.
The gray section placed under the ‘Available column’ zone
displays a description of the variable selected in the
‘Available column’ zone.

To add or remove a column from the report: Either click and drag
the variables from the ‘Available column’ zone to the ‘Displayed
column’ zone or from the ‘Displayed column’ zone to the
‘Available columns’ zone or select them with the mouse and click

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on the buttons and
, or double-click on the name of the
variable to add in the 'Available columns' or on the name of the
variable to remove from the table in the 'Displayed columns'.

To change the report column order: In the ‘Displayed column’


zone, click and drag the variable to modify their order in the
table:

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The options page:

• Show unknown peaks: by default unknown peaks are


shown in the peak table. But when this box is
unchecked, only the identified peaks are displayed.
• Display index column: a column corresponding to the
peak indices is displayed in the peak report. It is possible
to hide this column by unchecking this box.

• Show missing peaks: the missing peaks (not identified


in the chromatogram) are listed in the result table with
their theoretical RT. The ND (not defined) value is
assigned to other variables.

The Library page

It can be of interest to save a format as a template, to apply it in


several methods, printed report, or expected files. To do that,
select the library tab, the following screen is displayed:

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Click on the button. A window
appears, in which the name of the format can be saved with an
entry field to provide a short description of the format.

The format is then added to the available formats. By clicking on


the format, the description of the format is displayed in the gray
zone.

In a different method, click on , and


the peak report format is displayed in the ‘Displayed column’
zone.

To delete an obsolete format, select the format and click on


.

To change the name or the description of a format, select the

format and click on .

The Group Table Format


The group table can be customized as the peak table, i.e. in the
report properties it is possible to change the displayed variables
and to create formats. These formats will be accessible from
Galaxie Report Editor and in other methods or chromatograms. It
is also possible to save group formats in a library.

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The Chromatogram Format
Click on the Edit button in the “Chromatogram format”. The
following screen is displayed:

Four tabs are proposed: Annotations, Library, Graph, and Axis.

Chromatogram Annotation
• Check Peak identification windows to display the
identification windows on-screen (Corresponds to
pressing the icon ). The peak identification windows
are shown only one after the other when the
identification method is displayed: The identification
window will be displayed when the corresponding line is
selected in the peak identification table.
• Check Peak annotations to display the peak
annotations that contain information for every peak on
the chromatogram (Corresponds to pressing the icon

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). Press the Edit button (or the icon in the
toolbar) in the Peak annotation screen to change the
annotation content.
• Check Peak markers to display the markers that
symbolize peak start and end (corresponds to pressing
the icon . The colors of these markers can be
modified (see below).Press the Customize button to
change the peak markers style (cross, rectangle,
triangle, circle, etc.) and the size.
• Check Event annotations to display the integration
events on the chromatogram at the time they are defined

(Corresponds to pressing the icon ). Press the Edit


button (or the icon in the toolbar) to change their
appearance in the Event annotations screen
• Check Event markers to display markers on the
chromatogram at the times the integration events are
defined (corresponds to pressing the icon ). Press
the Customize button to change the event markers style
(cross, rectangle, triangle, circle) and the size.
• Check Baseline to display the baseline joining a Start
and an End peak marker (corresponds to pressing the
icon ). Press the Customize button to change the
baseline markers style (cross, rectangle, triangle, circle,
etc.) and the size.
The colors of these markers can also be changed in this screen:
start peak, stop peak, peak valley and event markers, including
the baseline color.

The raw data color, the corresponding size and thickness of the
plot can also be customized.

The Peak and Event annotations are described page 149.

NOTE: The same screen is displayed from the chromatogram: Press the right
mouse button within the chromatogram and select PROPERTIES in the
popup menu or press the Chromatogram annotations icon: .

Graph
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In the Curve properties, select the Graph tab.

ƒ In Margin Section, the interval between the curve and its


border may be changed, as the percentages increase,
the margin also increases.
ƒ In Panning Section, check the box Right mouse button.
Click and drag the right mouse button in the area of a
graph, and the curve moves with the mouse
(translation).
ƒ Check the box Axis arrows. When the mouse is placed
on an axis of the chromatogram, it takes the shape of an
arrow. A left button click moves the curve in the arrow
opposite direction. Change the % Scrolling value to
choose the shifting length.
ƒ Zoom Section: Check the Animated box to break down
the zoom in as many steps as defined on the right of this
check box.
ƒ Check the Zoom Out box with double-click, and the
graph scale will be set as in the last zoom out action.

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ƒ The Zoom box in ratio is used to modify the speed of the
zoom within the popup menu.
ƒ Color Section: The background or frame colors can be
changed by clicking on and then selecting the
color of the background or the frame. Check graduation
to obtain a graduated color effect for the graph frame.

Axis
In the Curve properties, select the Axis tab.

In the graph on the left, select (with a click) the axis to be


configured:

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The example above highlights the selected axis on the bottom
(x-axis).

Now choose the parameters to configure the selected axis:

ƒ Title:

Press the Font: button to select the font for


the title of the curve.

ƒ Label:

Press the button to select the axis font: the


script, the height, the color, etc.

Uncheck the Visible box to hide the axis label.


Grid: Click on the arrow to modify the style of the graph
grid and to show or hide it.
Border: Click on the arrow to modify the style of the graph
border and to show or hide it.
Ticks: It is possible to modify the number of the ticks,
their frequency, their length, etc.
The graphical properties are chosen only for the graph in
which the right mouse button was pressed.

Library
Once chromatogram annotations and colors have been defined,
it is possible to apply them for every new chromatogram. It is
also possible to view the chromatogram with annotations, and
then print it with a different set of annotations thanks to the
Galaxie Report Editor. This is possible by using a saved
chromatogram format.

The chromatogram annotations, graphic properties, and axis


properties are saved in the chromatogram.

When all of these parameters are set correctly, the


chromatogram format can be saved. In the chromatogram
format, go to the ‘Library’ page and then press the Save current
format button.

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Enter the name of the format in the window and a short
description of the format in order to recognize it quickly:

Press Add, and the format is added to all the other formats.

When a new method is defined, it is possible to apply an existing


chromatogram format In the Format sub-method, press the Edit
button inside the chromatogram format, select library tab then
the corresponding format and apply it. To print the
chromatograms with a special format, open the Galaxie Report
Editor, right click in the area of the chromatogram, select
Properties then select the name of the format in the top right
hand corner of the window.

The Suitability Tests

The suitability tests allow the display of selected warnings if


defined variables reach certain values. The tests can consider
any variable available in the Variable editor (METHOD /
VARIABLES).

To display the suitability tests section of the method, select the


menu METHOD / SUITABILITY TESTS or press the key
combination Ctrl + T or select Method then Suitability in the
browser.

Click on the Add button, then a 'Suitability test wizard' appears.

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Suitability Test Wizard
The wizard consists of several windows, which can be viewed
using the NEXT and PREVIOUS buttons. When moving ahead
within the wizard, text appears at the bottom of the screen, which
lists what has been selected previously.
1. In the first window of the wizard, select the scope of the
variable to be tested.

Choose to test either peak variables (quantity, area,


asymmetry, etc); or group variables (group quantity, group
area, etc); or global variables (sample mass, total area, etc,
and all user input variables) or the chromatogram raw data
(height of the signal). Precise the sample type concerned by
the test: Unknown, blank, standard of a defined level or of all
levels, control sample, control sample of a defined level or all
control samples.

2. In the second window, choose the item to be tested.

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For example, if the tested variable is a peak or a group
variable, choose if all the peaks or all the groups should be
tested or choose the name, the index, etc, of the peak or
group that should be tested. If the signal value is tested,
choose which acquisition points (slice) must be tested: all the
points (whole); the points between the xth and the yth
acquisition points (Slices from x to y); or the points between x
and y minutes (Time range from x to y min). If the variable is
a global one (chromatogram variable) then this step is by-
passed.

3. In the third window of the wizard, the tested variables are


chosen:

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The list of all the variables defined for the selected scope is
displayed, including the user defined variable. Click on the
variable to be tested and press the Next button. If the signal
value is tested (raw data), choose to test either the minimum
value of the signal between the two limits or the maximum
value.

4. In the fourth step, choose the second part of the test.

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The variable(s) can be defined as equal or different to a
certain value or of another variable value, with a precision.
The variable(s) can also be defined greater than or less than
a certain value (strictly or not).

5. In the last step, choose the action to perform if the test fails.

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The user can define a message to display only in the printed
report (Report only), or both in the printed report and on the
screen (Screen message). He can also decide to stop the
sequence after the processing of the current chromatogram
acquisition by choosing the Stop sequence option. This option
has a meaning only for suitability done during a sequence run.
The Modify calibration curve action has to be used only if Control
sample of level is selected to realize the test. The action is that if
the test failed, all the calibration points of the same level than the
one of the Control sample of level that is tested are removed
from the calibration curve and replaced by the unique point
corresponding to the Control sample of level .

By default, if a test is done on all the peaks, a new variable which


result is either true or false is created. This variable can be
displayed in the peak report. The name of this variable is
SuitabilityX and it is possible to rename it in the variable editor. In
the same way a group variable is created if a test is done on all
the groups.

Press Finish in the last window to add the test. When the test is
added, select it and press the button Edit test or Edit action to
modify the test.

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Suitability Test Examples
• Peak asymmetry: To test the peak asymmetry, add a
suitability test. Choose Peak as the test subject, choose
to test “All” peaks, choose As10% as the test criterion,
choose between 0.9 and 1.1 as the test parameters.
Then choose Report only as the result and press Finish.
In the peak report press the right-mouse button and
choose Report properties and add a column for the
suitability test.
• If you want to change the heading of the column, select
the menu METHOD / VARIABLES. Search for the
variable called ‘Suitability 1’ corresponding to the test
and change the name to ‘Asymmetry’.
• Quantity of a component: To test the quantity of a
component (e.g. Benzene), add a suitability test. Choose
Peak as the test subject, choose to test a peak selected
with its name and select Benzene from the drop-down
list, choose Qty as the test criterion, choose less than 15
as the test value. Then choose Report only as the result
and enter a message saying ‘Quantity of Benzene is
superior to 15 ppm’ for example and press OK. Now, in
the report style in the Galaxie Report Editor, Add a
Suitability result object to print the alarm if the test is
negative.
To add a suitability test object in the Galaxie Report

Editor, press .

Exporting the Results

It is possible to export automatically certain data (chromatogram,


peak report or group report) in a defined format (Word, Excel,
AIA, ASCII).

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In the export section of the method, press the Add button and the
following screen is displayed:

First choose the file type in which the results are to be exported:
ASCII, Excel, AIA, or RTF

• ASCII: Choose the field delimiter that will separate the


elements contained in a table. By default it is a tab, but
choose “other” to delimit the text with any other
character.

• Excel: Select the version of the Excel program that will


use the exported file.

• AIA: export of level 3. This export contains raw data


(point number, rate, etc); peak data (result table, method
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name, peak variables, etc.); detection method
parameters; sample description (mass, injection volume,
information, etc.); administrative data (operator, data set
origin, chromatogram title, etc.).

RTF: Select the application in which the exported file will


be read.

Then choose the file destination:

• Name

The name of the file can correspond to a variable. For example,


choose Chromatoname from the list and the name of the
exported file will have the name of the chromatogram with the
chosen extension.

A special variable can be created to specify the file name. For


example, click on Edit variables and, within the Variable editor,
create a new variable called ‘ExportName’. For example
purposes, it will be a global variable, a string, defined with the
following user formula: ‘Export_’+Chromatoname. Now press the
Apply button and select ExportName in the File name list box. In
this case, if the chromatogram is called “chromato_1.data”, the
name of the exported file will be “Export_ chromato_1.ext”.

To export a file for each channel when there are several


channels in a method, define a variable whose formula will be
Chromatoname+Channelnumber.

If variables have the same value in different chromatograms, the


results can be exported to the same Excel file but in different
worksheets. Check the box ‘Add new sheet’ in the export part of
used method.

• Path

Choose the path of the directory in which the file will be


exported. By default, the path will be the chromatogram path,
but, if the Custom option is chosen from the drop list box,
another path can be defined in next field.

If the entered path does not exist, it is created during processing.

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• Extension

By default, an extension corresponding to the file format will be


defined, but it is possible to change it, e.g. defining a special
format for a LIMS.

Now choose the content of the exported file:

• Raw data

Check this box to export the raw data (the retention time and the
absolute height of each point of the chromatogram). The raw
data is always exported in the case of AIA export.

• Peak results

Check this box to export a peak table, which is the list of the
chromatogram peaks. To define the format of this table, select
the format of the peak table in the associated scrolling list
(formats are created and detailed page 144). In case of AIA
export, the format will be exported as it is defined in the current
chromatogram results table

• Group results

Check this box to export a group table (the list of the groups). A
format for this table may also be specified (as for peak results).

• Variables

Check this box to export all the global variables (the list of the
global variables with their values).

Be careful to close the file before executing the processing.


If the export file name is always the same and if you open it
and start the processing, the export cannot be completed. In
addition, if a file with the same name already exists, it will be
overwritten without a warning message

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The Post Processing

This function allows the automatic execution of a program (Plug-


In) using the Galaxie Workstation results.

Click on the add button then specify in the following screen


whether the post processing is a plug in or an executable file.

If it is an executable file, the following screen is displayed:

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Select the executable file name in the ‘File’ field, the path is
automatically displayed in the ‘Path’ field.

If the program to run needs some Galaxie global variable(s)


(system or user input variables) to be executed, the user has to
define these variable names in the command parameters field.
The syntax to use is ‘$ ‘then the ‘variable name’ (refer the
variable chapter to know the name of the
variables):$VARIABLEID1 $VARIABLEID2 etc.

According the executable file chosen, a particular syntax can be


used (see the example using the prompt command program
where ‘/K echo’ is used to let the command prompt window open
after the post processing has been executed.

The Report Printing

The section “Report Style” allows the user to define report


printing. The following screen is displayed:

In the “File” box, select the name of the report template to print.
Some templates must first be created in the Galaxie Report
Editor (see the corresponding user’s guide manual).

To view the selected report, press the Edit button: Galaxie


Report Editor is opened and displays the corresponding report
template.

To print automatically a report after an acquisition, enter 1 in the


“copy number” box. If 0 is selected, no printing will be done
automatically.

The Summary Report

This function allows the user to generate a statistical report. All


variables defined in Galaxie Workstation can be statistically
followed over time (retention time, RF, area, etc.). This is useful,
e.g. for following column ageing by plotting the standard

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deviation of the retention time of a compound under specified
analytical conditions.

This function is described in detail page 290.

Method Templates
Once a method has been built, it is possible to save it as a
model in order to reuse it for the creation of new methods
associated with other systems.

The methods created from a method template are the same as


the original one except that the control section is not
transferred.

Creating a Method Template

Once a method is created and saved, it is possible to save it as a


template: Select this method and then the FILE / SAVE AS /
SAVE METHOD AS TEMPLATE menu.

Now, you need to specify a name for the template method, be


sure to enter a description of the template method in the
corresponding field because this description will help you to
identify it in the Open File window.

All the parameters of the mother method are saved in the


template method, except the control parameters.

Creating a New Method Using a method template

Select the menu FILE / NEW / NEW METHOD FROM


TEMPLATE. Select the name of the template you would like to
use and then select the system (chromatograph) the method
should be applied to. A new method is created, using the model
of the method template and with the default control parameters
associated with the selected system.

This method can be manipulated as if it is a newly created one.

Do not forget to enter the parameter values in the control


section.

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Template Method Path

The templates methods are saved in a specific path, common to


a group. This path is specified in the Galaxie Configuration
Manager and can be different from the data path.

Printing Method Parameters

To print method parameters, open it then click on the icon.


The following screen is displayed:

When the user selects a defined report in the list, he can edit it
by pressing the Edit button; create a new one by pressing the
New button to customize the report, or refresh the list by
pressing the Refresh button.

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Galaxie Workstation Variables
The Galaxie Workstation incorporates many system variables
that can perform calculations on individual peaks, peak groups,
or the entire sample. It can also offer the possibility to define
custom variables for calculations, which are not present by
default in the existing Galaxie Workstation variables. These can
be either ‘user input’ variables for which the user must enter a
value or text, or ‘user formula’ variables which allow specific
calculations.

The variables are saved as part of the current method.

The management of the variables is done in the Galaxie Variable


Editor, available from the METHOD / VARIABLES menu:

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the Variable Editor is composed of several parts, detailed in
this manual:

- Variable list

- Repository

- Variable definition parameters

and specific buttons:

: creation of a new method

: apply the changes made for the selected


variables

: save a variable with another name (remind to


change the identifier)

: delete the selected non-system variable

How a Variable is Defined


A variable is defined by the following elements:

• Identifier: The identifier is a short name to identify the


variable. It can be used to print the variable in the
Galaxie Report Editor or be used to insert the variable
into the formula of another variable. An identifier must be
composed of letters, numbers and underscores. The first
character of an identifier should be a letter.
• Name: The name of the variable is used to identify the
variable into the software. For peak variables, the name
is used in the peak result table (column heading), and
also in the peak results object in the Galaxie Report
Editor. For group variables, the name is used in the
group report. For global variables, the name is used in
the CHROMATOGRAM PROPERTIES. The name of the
standard variables can be modified.

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• Unit: The abbreviation of the unit of the variable. It is
indicated in the heading of the peak or group report, or in
the CHROMATOGRAM PROPERTIES after the name of
the variable. The unit of standard variables can be
modified.
• Scope: The scope is used to define if the variable
applies to a peak, peak group, or the entire sample. For
example, Area and Quantity can apply to peaks or
groups, and sample weight is global. Peak variables can
be displayed in the peak report; group variables can be
displayed in the group report, while global variables are
displayed in chromatogram properties (menu options
DATA / CHROMATOGRAM PROPERTIES).
• Type: The type of a variable can be a real number, an
integer, a string of characters or Boolean. A Boolean is
defined by a condition in a formula (see below). If the
condition is satisfied, the value of the Boolean is TRUE,
otherwise, it is FALSE. It is possible to modify the type of
a variable. To transform a real into an integer, use
‘Trunc’ or ‘Round’. To transform a string into a real, use
‘Float’. To transform a real into a string, use ‘String’ (see
the functions section).
• Default value: this field is accessible only for non
mandatory user input variables (‘global’ and ‘by peak’). It
allows to define a default value
• Origin: The origin of a variable depends on the way in
which the value of the variable is obtained. For a
standard variable, the origin of the variable will be
‘System’. User- defined variables can be calculated with
a formula (‘User formula’). The user can also edit them in
the acquisition windows (Quick Start or sequence) or in
the CHROMATOGRAM PROPERTIES if the origin is
‘User input’.
• Display total: This box is active only for group and peak
variables. Check this box if the variable is to be summed
for all the peaks or groups. The total will appear at the
bottom of the peak or group report.
• Mandatory variables: This box is active only for ‘User
input’ variables. By checking this box, Galaxie
Workstation will refuse to launch an acquisition if the
variable has not been entered (in Quick Start window or
in the sequence).

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• Locked: this option is available only if the user owns the
corresponding profile. The user may lock the user input
variable to avoid that other users change it.

• Format: Press the Format button to


define the display format of the real numbers. Three
types of formats exist: automatic, scientific, and fixed.
Choose the number of decimals to be displayed. For
example, for the area variable, select scientific with a
precision of 5, and the area of a peak displayed will be
‘4.18345e4’. If fixed is selected with a precision of 3, the
same area will be displayed as ‘4183.452’. Automatic
mode is the same as fixed mode, but with comma
separation at each thousand. The format can of course
be modified for standard variables.
• Formula: This field is accessible only for user formula
variables. The variable formula variable may be defined
(see below for how to define a formula in the Custom
variable section).
• Full name: The full name of the variable is given in this
area. This full name appears only in this window. It
provides information related to the content of the
variable.
• Full unit: The full name of the unit is given in this area.
This full unit appears only in this window. It provides
information related to the unit of the variable.
• Comment: A comment that explains the calculations of
the variable, its origin, or any other useful information.
This information can be modified for system variables.
For the system variables, it is only possible to modify the full
name and the format.

System Variables
The system variables are defined by default in the Galaxie
Workstation. As mentioned in the previous paragraph, a variable
is defined by an Identifier and a Name. In this section, all the
system variables are described and listed by their Name and
Identifier under the following syntax: Name [IDENTIFIER].

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Peak System Variables

The peak system variables can be displayed in the peak report.


(Choose REPORT FORMAT in the popup menu and select the
variables for report display).

The Galaxie Workstation calculates the following variables


automatically for each peak:

Retention Time
• Corrected time [min] [RTCORRECT]: Theoretical
retention time (from the identification table) corrected
according to the retention times of reference peaks. For
example, if a peak was expected at 9 minutes between
two reference peaks expected at 8 and 10 minutes, and
the reference peaks occur at 8.5 and 10.5 minutes, the
corrected retention time of the peak will be 9.5 minutes
(See Identification section).

• RT. Index [RTINDEX]: This is an index giving the


position of the peak between the two adjacent reference
peaks: If the two adjacent reference peaks are the nth
and the n+1th reference peaks, the RT index of the peak
equals:
Rt − Rt n
index = +n
Rt n +1 − Rt n
where
Rt is the peak retention time.
Rtn is the retention time of the previous reference peak.

• RT Offset [min] [OFFSET]: This parameter is calculated


for identified peaks and is the difference (in minutes)
between the theoretical retention time of the peak and its
actual retention time. The theoretical retention time is the
time set in the identification table.
• Start [min] [RTSTART]: Retention time at the beginning
of the peak (in minutes). It corresponds to the retention
time of the peak start marker ( or if the marker is a
valley).

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• Stop [min] [RTSTOP]: Retention time at the end of the
peak (in minutes). It corresponds to the retention time:
of the peak stop marker ( or if the marker is a valley).
• Time [min] [RT]: Retention time at the peak apex (in
minutes).

Response
• Area [µV.min] [AREA]: The area is the sum of the area
between the signal and the baseline between the two
peak edges (peak start and end markers).
• Area [µV.sec] ][AREA]: The area is the sum of the area
between the signal and the baseline between the two
peak edges (peak start and end markers).

• Area [% ][AREAP]: The area percentage is the area of


the peak divided by the sum of the areas of all the
peaks, multiplied by 100.
• Height [µV] [HEIGHT]: The height is the difference
between the value of the signal at the apex of the peak
and the value of the baseline at the same time.
• Height [%] [HEIGHTP]: The height percentage is the
height of the peak divided by the sum of the heights of
all the peaks, multiplied by 100.
• Recomputed RF [RF_Rec]: This is the recomputed
response factor. It is equal to the ratio between the
quantity calculated by Galaxie and the response.

• Recomputed RRF [RRF_Rec]: This is the recomputed


inverse response factor. It is equal to the inverse of the
Recomputed Response Factor.

• Response [RESP]: The response is either the area, the


1/2
height, the area% or the height%, the area or the
1/2
height according to the choice made in the calibration
method.
• RF [RF]: This is the response factor entered in the
calibration table (in the case of a calibration with manual
response factors) or the ratio of the quantity (read from
the calibration curve) of the peak by its response (in the
case of calibration with a calibration curve).

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• RRF [RRF]: This is the inverse response factor. RRF =
1/RF= Response / Quantity.

Width
• Width X% [min][WX]: The width of the peak measured
at the specified height (X). The height is expressed as a
percentage of the total height of the peak. 0% of the
height is on the baseline, 100% of the height is on the
top of the peak:

A height of 4.4% corresponds to the 5-sigma method


A height of 13.4% corresponds to the 4-sigma method
A height of 32.4% corresponds to the 3-sigma method
A height of 60.7% corresponds to the 2-sigma method

Seven heights are proposed:


X= 4 means 4.4 %
X= 5 means 5 %
X= 10 means 10 %
X= 13 means 13.4 %
X= 32 means 32.4 %
X= 50 means 50 %
X= 60 means 60.7 %
• Width USP [min] [W_USP]: Peak width measured at
peak base, by extrapolating the tangents of the peak
sides. The tangents are taken at the inflection points of
the sides.

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• Left Half Width X% [min] [WLX]: Left half peak width
measured at the specified height (X). The height is
expressed as a percentage of the total height of the
peak. 0% of the height is on the baseline, 100% of the
height is on the top of the peak:
Seven heights are proposed:
X= 4 means 4.4 %
X= 5 means 5 %
X= 10 means 10 %
X= 13 means 13.4 %
X= 32 means 32.4 %
X= 50 means 50 %
X= 60 means 60.7 %
• Left Half Width USP [min] [WL_USP]: Left half peak
width measured at peak base, by extrapolating the
tangents of the peak sides. The tangents are taken at
the inflection points of the sides.

Asymmetry
• As.PE. [ASPE]: Asymmetry calculated with the
European Pharmacopoeia method:

W5%
As =
2 * W1/2

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where
W5% is the peak width at 5% of peak height.
W1/2 is the first half-width at 5% of peak height.

• As.USP. [ASUSP]: Asymmetry calculated with the


United States Pharmacopoeia method:

W5%
As =
2*f
where
W5% is the peak width at 5% of peak height.
f is the first half-width at 5% of peak height.

• As.EMG/ASTM [ASUSP]: EMG and ASTM methods for


Asymmetry calculation are the same as the United
States Pharmacopoeia method.

• As. 4.4% [AS4]: It is a half-width method:

W2 / 2
As =
W1/ 2
where
W1/2 is the first half-width at 4.4 % of peak height.
W2/2 is the second half-width at 4.4 % of peak height.

• As. 10% [AS10]: It is a half-width method:

W2 / 2
As =
W1/ 2
where
W1/2 is the first half-width at 10 % of peak height.
W2/2 is the second half-width at 10 % of peak height.

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Number of Theoretical Plates
• NTP Sx [NTP_SX]: This is the number of theoretical
plates calculated with the x-sigma method:
2
⎛R ⎞
NTP = R sigma ⎜ t ⎟
⎝w⎠
where
Rt is the peak retention time.
w is the peak width at the height corresponding to the calculation
method:
Rsigma is a factor which depends on the calculation method:

5 sigma method: Rsigma = 25, width measured at 4.4 % of peak


height
4 sigma method: Rsigma = 16, width measured at 13.4 %
3 sigma method: Rsigma = 9, width measured at 32.4 %
2 sigma method: Rsigma = 4, width measured at 60.7 %

• NTP USP [NTP_USP]: This is the number of theoretical


plates calculated with the United States Pharmacopoeia
method:
2
⎛R ⎞
NTP = 16 × ⎜ t ⎟
⎝w⎠
where
Rt is the peak retention time
w is the USP Width (peak width measured at peak base, by
extrapolating the tangents of the peak sides). The tangents are
taken at the inflection points of the sides.

• NTP EP [NTP_EP]: This is the number of theoretical


plates calculated with the European Pharmacopoeia
method:
2
⎛R ⎞
NTP = 8Ln(2)⎜ t ⎟
⎝w⎠

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where
Rt is the peak retention time
w is the peak width measured at the half peak height

• NTP JP/ASTM [NTP_EP]: JP and ASTM methods for


theoretical plates number calculation are the same as
European Pharmacopoeia method.

• NTP EMG [NTP_EMG]: This is the number of theoretical


plates calculated with the EMG method:

⎛ Rt ⎞
⎜⎜ ⎟⎟
W
⎝ 10% ⎠
NTP= 41.7 ×
W1/2−10%
+ 1.25
W2/2−10%
where
Rt is the peak retention time
W10% is the peak width measured at 10% of peak height.
W1/2-10% is the first half peak width measured at 10% of peak
height.
W2/2-10% is the second half peak width measured at 10% of peak
height.

• NTP AH [NTP_AH]: This is the number of theoretical


plates calculated with the Area/Height method:
2
⎛ ⎞
⎜ ⎟
⎜ Rt ⎟
NTP = 16 ×
⎜ ⎛ A⎞⎟
⎜ 4 × 0.399 × ⎜ ⎟ ⎟
⎝ ⎝ h ⎠⎠
where
Rt is the peak retention time
A is the area of the peak in µV.min.
h is the height of the peak in µV.

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Selectivity, Capacity
• α [SEL]: This is the selectivity factor, which is the ratio of
the peak capacity factor (K’) to the capacity factor of the
previous peak:

k2 Rt 2 − T0
α= or α =
k1 Rt 1 − T0
where
T0, Rt1, Rt2 represent respectively the dead time, the peak
retention time of the previous peak and the retention time of the
current peak.

The dead time, T0, set in the acquisition window (Quick Start or
sequence), can be modified in the chromatogram properties
(Menu DATA / CHROMATOGRAM PROPERTIES).

• k’ [KP]: the capacity factor (k’) of a compound is the


ratio of the quantities of the compound in the stationary
phase and in the mobile phase.

Rt − T0 qstat
k' = =
T0 qmob
where
T0 and Rt represent respectively the dead time and the peak
retention time, qstat the quantity of the compound in the
stationary phase and qmob the quantity of the compound in the
mobile phase.

Resolution
The resolution quantifies the integrity of the separation between
two successive peaks.
• Res. HW [RES_HW]: This is the resolution calculated
with the half width method:
Rt 2 − Rt 1
R s = 1.18 ×
W1 + W2
where

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Rt2 and Rt1 represent respectively the peak retention time and
the retention time of the previous peak.
W1 is the half height width of the first peak.
W2 is the half height width of the second peak.

• Res. EMG/EP/ASTM [RES_HW]: EMG, European


Pharmacopoeia, and ASTM resolutions are calculated
as half width Resolution.

• Res. USP [RES_USP]: This is the resolution calculated


with the United States Pharmacopoeia method:
Rt 2 − Rt1
Rs = 2 ×
w1 + w 2
where
Rt1 and Rt2 represent respectively the peak retention time and
the retention time of the next peak.
w1 is the USP width of the first peak.
w2 is the USP width of the second peak.
See the section on Peak width for how USP width is calculated.

• Res. Val. [RES_VAL]: This is the resolution calculated


with the valley method:
V
R=
h
where
V is the height of the valley preceding the peak.
h is the height of the peak.

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Name, Quantity
Control sample [CTRLSAMPLE]: It is the quantity entered in
the calibration table for the control sample. This value is used for
the control sample computation.

Name [NAME]: The name assigned to the peak after the


identification (See Identification section). The name is used to
quantify the peak if the calibration mode is different from
response percentages.

Qtable [QTABLE]: Quantity entered in the calibration table for


the peak and the corresponding chromatogram level, if the
chromatogram is a standard or a control sample with level.

Quantity [unit] [QTY]: The quantity of the peak (See


Quantification section).

Integration Code [CODE]


The integration code describes the way in which the baseline is
drawn. The first letter describes the baseline position at the peak
start and the second letter the baseline position at the end of the
peak.

Possible cases:
S The baseline is on the signal.
H The baseline is horizontal.
V The end or the start of the peak is a valley.
T The peak is a shoulder, the baseline is tangential.
E The peak is a shoulder, the baseline is exponential.
M The peak has been integrated manually.
F The end or the start of the peak has been forced.
OR When the peak is saturated (Out of Range).
Priority rules:
1) H has priority over S and V.
2) E and T can be replaced by V.
3) F has priority over H, S, V.
4) M has priority over F, H, S, V, E and T.
5) E and T have priority over S.

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6) OR has priority over F, H, S, V, E and T.

Integration examples:
1. The baseline has been forced (rule 1).

2. Two peaks integrated as tangential shoulders of a main peak


(rule 2)

3. Integration "Valley to Valley"

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4. Forced integration: split peak.

It is also possible to indicate the saturation of a peak thanks to


this variable. The associated code is OR (out of range). User has
to enter the minimum and maximum value of the output signal (of
the chromatograph) in the METHOD / INTEGRATION /
PARAMETERS menu.

Saturation

Saturated [ISSAT]:This variable displays TRUE if the


corresponding peak is saturated, FALSE in the other case
according to the minimum and maximum values of the output
signal (chromatographic signal) defined in the METHOD /
INTEGRATION / PARAMETERS menu.

Moments, Excess (or Kurtosis), Skew


• Moment1 [MOMENT1]: The first moment of a peak is
the mean retention time, which is the retention time of
the peak at the center of gravity. It is referenced to the
peak retention time (m1 is the time between the top and
the center of gravity of the peak).

1 +∞
m 0 ∫- ∞
m1 = (t − R t )h t dt

where
m0 is the zero moment, or the peak area.
Rt the retention time of the peak.
t is the retention time of a slice.
ht is the height of a slice.

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dt is the acquisition period (the inverse of the number of
acquisition points per minute).
In the case of a Gaussian peak, m1 is equal to zero.

• Moment2 [MOMENT2]: The second moment of a peak


is the variance 2σ (σ is the peak standard deviation).
The second moment is a measure of the lateral spread.
1 +∞
m2 = ∫ (t − R t ) 2 .h t dt
m0 - ∞

where
m0 is the zero moment or the peak area.
Rt is the retention time of the peak.
t is the retention time of a slice.
ht is the height of a slice.
dt is the acquisition period (the inverse of the number of
acquisition points per minute).

• Moment3 [MOMENT3]: The third moment of a peak


describes vertical asymmetry, or skew. It is a measure of
the departure of the peak shape from the Gaussian
standard.
1 +∞
m3 = ∫ (t − R t ) 3 .h t dt
m0 - ∞

where
m0 is the zero moment or the peak area.
Rt is the retention time of the peak.
t is the retention time of a slice.
ht is the height of a slice.
dt is the acquisition period (the inverse of the number of
acquisition points per minute).
In the case of a Gaussian peak, m3 is equal to zero.
• Moment4 [MOMENT4]: The fourth moment (or excess)
of a peak is a measure of the compression or stretching
of the peak along a vertical axis, and how this compares
with a Gaussian standard.

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1 +∞
m4 = ∫ (t − R t ) 4 .h t dt
m0 -∞
where
m0 is the zero moment, or the peak area.
Rt is the retention time of the peak.
t is the retention time of a slice.
ht is the height of a slice.
dt is the acquisition period (the inverse of the number of
acquisition points per minute).

• Excess or Kurtosis [KURTOSIS]: Excess is equal to


zero for Gaussian peaks. E is negative for overloaded
peaks.
m4
E= −3
m 22

• Skew [GAMMA]: γ quantifies the symmetry of a peak.


m3
γ=
m 3/2
2
A symmetrical peak has a skew of zero, whereas a peak that
tails has a positive skew and a peak that fronts has a negative
skew.

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Others
• # Baseline [BASELINEID]: Peak Baseline Identifier:
Index of the peak baseline
• Baseline Start Time [BL_STARTIME]: Time of the start
marker of the baseline.
• Baseline Stop Time [BL_STOPTIME]: Time of the stop
marker of the baseline.
• Baseline Start Value [BL_STARTVALVUE]: Value of
the signal of the baseline at the start peak time.
• Baseline Stop Value [BL_STOPVALUE]: Value of the
signal of the baseline at the stop peak time.

• Fraction collector number [COLLECTORNUMB]: It is


the number of the fraction collector used. For the peak
collection. This variable is displayed only if a fraction
collector has been used during the chromatogram
acquisition.
• Fraction Name [FRACNAME]: The name of the
fraction this peak belongs to. This variable is displayed
only if a fraction collector has been used during the
chromatogram acquisition.
• Group(s) [PEAK_GROUP]: Peak Group(s): The
name(s) of the group(s) this peak belongs to.

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• is Unknown [ISUNKNOWN]: This variable equals
TRUE if the peak is unknown (namely has not been
identified) or FALSE if not.
• Manual RF [ISRFMANUAL]: This variable has the
TRUE value if the peak has been calibrated in manual
mode. Otherwise, it has the FALSE value.
• Positive [ISPOS]: This variable equals TRUE if the
peak is a positive peak or FALSE if not.
• Regression model [REGRMODEL]: The regression
model of the calibration curve used for peak
quantification.
• Response factor_relative standard deviation [RF-
RSD]: expressed in percent. Obtained by multiplying the
RF-SD by 100 and dividing the product by the RF of the
associated calibration curve.

• Response factor_standard deviation [RF-SD]:


measures the dispersion of the response factors of the
different points in the associated calibration curves.

• Weighting factor [WEIGHTFACTOR]: The weighting


factor applied to the calibration curve used for peak
quantification.

Group System Variables

The group variables can be displayed in the group result table.


Select ‘report Properties’ in the popup menu of the group result
table and select the variables to display. It is possible to save the
group report formats in a library.

Galaxie Workstation automatically calculates the following


variables for each peak group:

• Area [µV.min]: [G_AREA] The area is the sum of the


areas of all peaks in the group.

• Area [%] [G_AREAP]: The area percentage is the area


of the group divided by the sum of the areas of all the
groups, multiplied by 100.

03-914975-00:6 187 of 368


• Control sample [G_CTRLSAMPLE]: Quantity entered
in the calibration table for the control sample. This value
is used for the control sample computations.

• Height [µV] [G_HEIGHT]: The height is the sum of the


heights of all peaks in the group.
• Height [%] [G_HEIGHTP]: The height percentage is the
height of the group divided by the sum of the heights of
all the groups, multiplied by 100.
• Manual RF [G_ISRFMANUAL]: This variable has the
TRUE value if the peak has been calibrated in manual
mode. Otherwise, it has the FALSE value.
• Name [G_NAME]: Group Name: Name of the group
after identification.
• Number of peaks [G_NBPEAKS]: The number of
peaks included in a group.
• Quantity [unit] [G_QTY]: The quantity of the group. It
equals the sum of the quantity of the group peaks.
• Qtable [unit] [G_QTABLE]: The Quantity entered in the
calibration table for the group and for the corresponding
chromatogram level if the chromatogram is a standard or
a control sample with level.

• Recomputed RF [G_RF_Rec]: It is the recomputed


response factor of the group.
- For calibration group, if ‘curve’ factor is used: the
response factor is the ratio of the quantity (read in
the calibration curve) of the group by its response. If
‘manual’ factor is used: it is the ratio of the quantity
calculated without M, D, mass or Normalization
factor, by its response.
- For result group, it is the ratio of the quantity
calculated without M, D, mass or Normalization
factor, by its response.
• Recomputed RRF [G_RRF_Rec]: It is the recomputed
reverse response factor of the group. It is the reverse of
the Recomputed Response Factor of the group.

• Regression model [G_REGRMODEL]: The regression


model of the calibration curve used for group
quantification.

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• Response [G_RESP]: The response is either the total
area, the height, the area% or the height%, the area1/2
and the height 1/2 of the group, according to the choice
made in the calibration method.
• Response factor relative standard deviation
[G_RFRSD]: The response factor relative standard
deviation is expressed in percent. It is obtained by
multiplying the RF-SD by 100 and dividing the product
by the RF of the associated calibration curve.

• Response factor standard deviation [G_RFSD]: The


response factor standard deviation Measures the
dispersion of the response factors of the different points
in the associated calibration curve.

• RF [G_RF]: This is the response factor of the group. The


response factor can be entered in the calibration table if
the group is a calibration group, or it is the ratio of the
quantity of the group to its response.
• RRF [G_RRF]: It is the inverse response factor of a
group: RRF = 1/RF= Group response / Group quantity.
• Weighting factor [G_WEIGHTFACTOR]: The weighting
factor applied to the calibration curve used for group
quantification.

Global System Variables

The global variables belong to the whole chromatogram. They


can be displayed in the chromatogram properties. Select the
menu options DATA / CHROMATOGRAM PROPERTIES in the
main menu.

Output Variables
Galaxie Workstation automatically computes the following
variables for each chromatogram:

• # id. Peaks [NBIDPEAKS]: Number of peaks in the


peak identification table.

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• Acquisition Date & Time [ACQTIME]: Acquisition date
and time.
• Calibration curve [CALNAME]: The name of the
calibration file associated to the chromatogram. If no
curve, the value is an empty string.
• Calibration Type [CALTYPE]: The type of calibration.
The variable equals 0 if working in ‘Response %’, 1 in
‘Normalization’, 2 in ‘External Standard’, 3 in ‘Internal
Standard’.
• Channel number [CHANNELNUMBER]: A sample can
be acquired on several channels, and a chromatogram is
drawn for each channel. This variable gives the channel
number of the chromatogram that is selected.
• Chromatogram Name [CHROMATONAME]: The name
of the chromatogram.
• Data path [DATAPATH]: The data path of the currently
connected user. This is the path of the directory
containing the files, which is accessible by the current
user.
• Data saved [DATASAVED]: This variable equals “True”
if the chromatogram has been saved or “False if there
were changes since the last time the chromatogram was
saved. This variable can be used for mapping purposes:
if the value of this variable is printed and should equal
‘Yes’, this will ensure that all the results that are printed
are saved, and thus that there is a record of them and
the way in which they were obtained.
• Detector name [DETNAME]: The name of the detector
of the current channel.

• Drift [DRIFT]: This variable is the slope (a) of the


regression straight line y=ax+b, calculated with the
“Compute noise On” and Off events (see noise variable).
• Fraction collection logname [FRACLOGNAME]: The
name of the Log file associated to the chromatogram.
• Fraction collection unit [FRACUNIT]: The unit defines
for the fraction collection (time, slope, level, etc.).
• Group Name [GROUPNAME]: The name of the
connection group (defined in the Galaxie Configuration
Manager) on which the user has performed the last
chromatogram processing.

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• # Groups [NGROUPS]: The number of groups in the
chromatogram.
• #Int.Std.Peaks [ISTDNB]: The number of internal
standards defined in the method.

• Injector name [INJECTORNAME]: The name of the


injector used for the acquisition.

• Last calibration date [CALDATE]: The last saved date


of the calibration curve used to process the
chromatogram.
• Level [LEVEL]: The calibration level if the
chromatogram is a standard, or 0 if it is an unknown.
• Method channel [METHODCHANNEL]: The name of
the channel of the method file used to process the
chromatogram.
• Method name [METHODNAME]: The name of the last
method used to process the chromatogram.
• Noise [NOISE]: This variable is calculated between
limits defined by a ‘Compute noise On’ event and a
‘Compute noise Off’ event. Inside these limits a linear
regression is calculated for the signal. The result is a
y=ax+b equation. This regression straight line is
subtracted to the signal and the difference between the
min and max value of the ‘horizontal’ signal is calculated.
This is then the noise. This variable can be used for
blank chromatograms (no peak) during the whole
chromatogram.
• Noise Sdev [NOISE_SDEV]: Standard deviation of the
chromatogram noise. This variable is calculated over the
totality of the chromatogram during the integration
phase. This variable has no analytical meaning; it is only
used for an internal calculation.
• Number of missing peaks [NBMISSINGPEAKS]: The
number of missing peaks (i.e. peaks present in the peak
identification table but not detected).

• Number of Peaks [NPEAKS]: The number of integrated


peaks.

• #Points [NPOINTS]: The total number of the acquired


points in the chromatogram.

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• Operator name [OPERATOR]: The name of the user
that performed the acquisition.
• Processing date [PROCESSDATE]: The last
processing date.
• Project name [PROJECTNAME]: The name of the
project in which the acquisition was performed.
• Report name [REPORTNAME]: The name file of the
report style used to print the chromatogram.
• Reprocessing list count [BATCHCOUNT]: The total
number of chromatograms in the reprocessing list, if the
current chromatogram was reprocessed inside a
reprocessing list. If not, the value of the variable is –1.
• Reprocessing list name [BATCHNAME]: The name of
the reprocessing list of the chromatogram, if it was
processed inside a reprocessing list.
• Reprocessing list position [BATCHPOS]: The position
of the chromatogram in the reprocessing list, if it was
created inside a reprocessing list. If not, the value of the
variable is -1.
• Reason for stop sequence [SEQSTOPREASON]: The
reason why the sequence is stopped. If several
suitability tests have failed, only one of them is
mentioned. This variable is computed at the end of the
processing and should not be used in formulae.

• RMS noise [RMSNOISE]: To calculate this variable the


y=ax+b equation which is in the noise calculation is
used, the regression is also subtracted from the signal
and then, for each slice of the ‘horizontal’ signal:

∑ signal 2

RMS_Noise = i =1
k

Where k is the number of points.

The Noise ON and Off events have to be defined in the


integration part of the method to calculate this variable.

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• Run name [RUNNAME]: The original name of the
chromatogram, entered when preparing the acquisition:
prefix + Run ID.
• Sequence count [SEQCOUNT]: The total number of
chromatograms in the sequence, if the current
chromatogram was created inside a sequence. If not, the
value of the variable is –1.
• Sequence name [SEQNAME]: The name of the
sequence of the chromatogram, if it was processed
inside a sequence.
• Sequence position [SEQPOS]: The position of the
chromatogram in the sequence, if it was created inside a
sequence. If not, the value of the variable is -1.
• Software current name [SOFTCURNAME]: The name
of the software which has been used to reprocess the
selected chromatogram.
• Software current version: [SOFTCURVERSION]: The
version of the software which has been used to
reprocess the selected chromatogram.
• Software name [SOFTNAME]: The name of the
software that originally created the selected
chromatogram.
• Software version: [SOFTVERSION]: Version of the
software that originally created the data file
• Stop sequence [SEQSTOP]: This variable equals
TRUE if the sequence must be stopped after this
chromatogram acquisition (due to a suitability test
failure) and FALSE else. This variable is computed at
the end of the processing and should not be used in
formulae.

• System name [SYSTEMNAME]: The name of the


system used to acquire the chromatogram.
• Total peak area [TOTAL_AREA]: The sum of the areas
of all peaks in the chromatogram.
• Total peak height [TOTAL_HEIGHT]: The sum of the
heights of all peaks in the chromatogram.
• Total peak response [TOTAL_RESPONSE]: The sum
of the responses of all peaks in the chromatogram. The
response is either Area or Height, Area % or height%,

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Area 1/2 or height 1/2, according to what has been defined
in the calibration method.
• User name [USERNAME]: The name of the user that
performed the last processing.

Input Variables
• Dead time [DEADTIME]: It is the dead time, entered
manually at the acquisition time. It can be modified in the
CHROMATOGRAM PROPERTIES after the acquisition.
• DT [DELTAT]: The acquisition period. It is the time
between two acquisition points. This time can be
changed via the Acquisition rate in the acquisition
method. Deltat is the inverse of acquisition rate.
• Divisor factor [DIVFACTOR]: This variable is used to
divide all the quantities by a factor. This value is entered
when preparing the acquisition. It can be modified in
CHROMATOGRAM PROPERTIES.
• Inj voL [IVOL]: This is the volume injected by the
autosampler (if present) and if it is driven. It also can be
entered for information purposes only. This value is
entered when preparing the acquisition. Note that for
some liquid chromatographs which injector is chosen, it
can be a syringe fraction (See the injector manual).
• Istd weight [ISTDW]: This is the internal standard
quantity, if there is only one. This value is entered when
preparing the acquisition and can be modified in
CHROMATOGRAM PROPERTIES. When there are
several internal standards, use the variable
ISTDVAL(‘IntStd’) that gives the quantity of the internal
standard named ‘IntStd’.
• Mass [MASS]: The mass of injected sample. This value
is entered when preparing the acquisition and can be
modified in CHROMATOGRAM PROPERTIES.
• Multiplier factor [MULTFACTOR]: This variable is used
to multiply all the quantities by a factor. This value is
entered when preparing the acquisition. It can be
modified in CHROMATOGRAM PROPERTIES.
• #Rack [RACKNUMBER]: it is the number of the rack
used for the acquisition.

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• Run Information [RUNINFO]: The information about the
sample. This information is entered when preparing the
acquisition. It can be modified in CHROMATOGRAM
PROPERTIES.
• Run Time [RUNTIME]: it is the total acquisition time of
the chromatogram.
• #Vial [VIALNUMBER]: The number of the vial where the
sample was taken. This value is entered when preparing
the acquisition to select the correct autosampler vial (if
autosampler is present), or is for information purposes
only.

User Input Variables


User input variables are variables (created by user) which have
to be assigned a value. Two “user input” variables can be
defined:

ƒ The “user input by peak” (one value has to be defined by


peak)

ƒ The “global user input” (one value has to be defined by


chromatogram file)

NOTE: The peak or global choice is made in the “Scope” field.

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For both NON MANDATORY ‘global’ and ‘by peak’ user input
variables, it is possible to define a default value.

The User-Input variables are variables whose values are entered


to be used for the calculation of other variables.

To create a User-Input by peak variable:


1. Add a variable in the variable editor (New button).
2. Define the scope: peak.
3. Define the origin as “User input”.
4. Choose a short, easily remembered identifier for this
variable. This identifier can be used in the formula of
other custom variables if this variable is needed for other
calculations.

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5. Define the name of the variable. The name will be used
to identify the variable in the peak identification table.
6. Define the unit of the variable. The unit will be
associated with the variable name.
7. Define the type and format of the variable, and
optionally, add a comment for this variable.
8. Check the ‘Mandatory’ box to require the operator to
enter the variable in the identification table (Identification
part of the method).
9. Define eventually a default value (if non mandatory
variable only). This option is available only if the user
owns the corresponding profile in Galaxie Configuration
Manager. It allows user to lock a variable to forbid other
user to modify it, except the format, the unit and the
optional fields.
10. The ‘Lock the variable’ function is available only if the
user owns the corresponding profile. This option allows
the user to lock a variable to forbid other users to modify
it, except the format, the unit and the optional fields.

11. Press the Apply button.

For each peak “user input” variable, a column is added to the


peak identification table in which a particular value can be
defined for each peak.

Note that if user modifies the user input default value in a


chromatogram, the value is updated in the identification part of
the method only for the peaks that already have the previous
default value.

Example of “user input by peak” variable: peak purity

The analyzed sample can be composed of several compounds


coming from solutions of different and known purities. To
quantify those compounds, Galaxie must take into account the
purity factor of each peak (if the quantities defined in the
calibration table do not take into account the purity).

6. Create a peak user input variable named PEAKPURITY.


Enter then in the identification table the value of the

03-914975-00:6 197 of 368


purity for each component in the added column which
name is the variable name.

7. Create a peak user formula with the formula:


PEAKPURITY x QTY and display it in the peak result
table.

The Global User Input Variables

The global user input variables are variables defined for a


chromatogram whose values are entered when starting a single
acquisition or a sequence, or in the chromatogram properties.
They are entered only for information or to be used for the
calculation defined by the user (user formula variable).

ƒ In the Quick Start windows, click on the More button.

ƒ In the sequence, select the “user input” column.

ƒ In the chromatogram properties


(DATA / CHROMATOGRAM PROPERTIES select the

Variable tab or use the icon ).

NOTE: The value entered when starting an acquisition can be change afterwards,
in the chromatogram properties.

To create a new global User-Input variable:


1. Add a variable in the variable editor (New button).
2. Define the scope: global.
3. Define the origin as “User input”.
4. Choose a short, easily remembered identifier for this
variable. This identifier can be used in the formula of other
custom variables if this variable is needed in other
calculations.
5. Define the name of the variable. The name will be used to
identify the variable in the acquisition window (Quick Start or
sequence) and in the chromatogram properties.
6. Define the unit of the variable. The unit will be associated
with the variable name.
7. Define the type and format of the variable, and optionally,
add a comment for this variable.

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8. Check the ‘Mandatory’ box to require the operator to enter
the variable in the chromatogram properties, the Quick start
or the sequence
9. Define eventually a default value (if non mandatory variable
only)
The ‘Lock the variable’ option allows the user to lock a variable
to forbid others user to modify it, except the format, the unit
and the optional fields. This option is available only if the
user owns the corresponding profile
10. Press the Apply button.
Note that if user modifies the user input default value in a
chromatogram, the value is updated in the chromatogram
properties only for the variables that already have the previous
default value.
If loading a chromatogram in a reprocessing list, and then modify
the default value of a global user input variable belonging to it,
user will have to load again the method to update the default
value. The same behavior occurs in the sequence.
Example of a global user input variable: Sample code

Create a global user input variable called SAMPLECODE. This


variable would correspond to a number or a code identifying the
analyzed sample. Check the Mandatory Variable box to force the
user to assign a value before each acquisition, realized either by
a Quick Start or a sequence, in the corresponding field, and
press Apply.

User Formula Variables


To create a new variable with specific calculations, press the
NEW button. Next, specify the identifier, name and unit of the
variable, then specify the scope, to determine if the variable is for
the entire chromatogram (global), the groups or the peaks.
Finally specify that the origin is a “User formula”, complete the
corresponding formula (in the Formula field) and press the
APPLY button.

How to Express the Formula

The formula definition must follow strict rules:

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• The formula can use existing variables. To call an
existing variable, use the variable identifier. (For
example: AREAP for area percentage or G_RF for the
response factor of a group). Enter the first variable
identifier letter in the Formula field; a popup menu that
lists the variables that begin with that letter is displayed.
Choose the variable from the list.

• The mathematical operations of general use (addition,


subtraction, multiplication, division) are defined by
adding the corresponding symbol: (+ - x /), for example:
AREA+HEIGHT. More complicated operations are also
possible, for example cosine, exponential, logarithm, etc.
The corresponding syntax is detailed in the section
‘Usual Functions’: LN(RT), the associated argument
must be defined between parentheses.

• It is possible to define a condition, the correct syntax is:

If (cond) then (x) else (y) is: IF (cond;x;y). The semicolon


means consecutively “then” and “else”. Conditions can
overlap, so it is important to respect use of parentheses: IF
(cond; IF (cond;a;b); IF (cond;x;y)).

For example, if the area of a peak is less than 150, display


“quantity * 2”, else display “quantity * 3” is:
IF(AREA<150 ;QTY*2 ;QTY*3).

The results can be real numbers or strings. The results can


also be another condition: IF ((AREA>1000); (IF
HEIGHT>1000; ‘Large and high peak’; ‘Large and low
peak’); (IF SKEW>=0; ‘Little tailing peak’; ‘Little fronting
peak’)). In this case, the area of the peak will first be tested,
then if it is larger than 1000, the height will be tested. If the
peak area is less than 1000, the skew of the peak will be
tested, otherwise the message 'Large and low peak
appears'.

• To display text, enclose it with apostrophes, in this


way the Galaxie Workstation will be able to distinguish it
from a variable.

For example, to create a variable allowing the display of the


name on the chromatogram, the retention time and the area
of each peak separated by a dash, define a peak variable

200 of 368 Galaxie Chromatography WS User’s Guide


with the formula: NAME+‘-’+RF+‘-’+ AREA. . The result will
be for example: benzene-1,2-34

• Global, group, and peak variables can be calculated with


a user formula. But, if a peak variable is used in a global
or a group variable formula, it is necessary to define
which peak is addressed. For example if a global
formula is the sum of the area of all the peaks divided by
the area of the peak of Acetone: the formula will be
TOTAL_AREA/AREA(‘Acetone’). The peak name must
be defined between apostrophes and parentheses,
with exactly the same spelling as the one defined in
the identification table.

Of course, it is necessary to clearly define the group used in


a global variable formula.

• The groups or the peaks can be defined by their index or


by their name. Height(1) will be the height of the first
peak, whereas G_QTY(‘NC12+’) will be the quantity of
the group named NC12+. The name of a peak or a
group is a string character. As a consequence, it is
necessary to place it between two single quotes. Peak
names are not case sensitive.

• A peak variable without an index or peak name will


correspond to the value of the variable for the current
peak. For example, the following formula
AREA/AREA(‘ISTD’) will divide the area of each peak by
the area of the peak named ISTD.

In the same way, a group variable that is not identified with


any index or name will be considered as the variable of the
current group in a group variable.

• It is also possible to define a Boolean. A Boolean is


composed of a condition expressed as a formula:
Qty(‘Benzene’)<5 or NOISE>100. The result is True if
the condition occurs or False if it is not. The condition
can be composed of several conditions separated by
AND, OR. Use parentheses to separate the propositions.
For example (AREA<5) OR (AREA>30), if one or the
other condition is respected, the result is TRUE. If no
one is respected the result id FALSE.

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• To set response values other than TRUE and FALSE,
use the functionality IF: IF (condition; positive result;
negative result). Therefore, if the condition is true, the
value of the variable will be the positive result.
Otherwise, if it is false, it will be the negative result.

A Few Examples of Custom Variables

• Annotation (peak variable): To display the name of the


peak and its retention time as the peak annotation, enter
the formula NAME+‘ ’+RT. Once this variable is defined,
call it from the Content zone of the peak annotations
( ).
• Drift: To calculate the drift between the first and the
thousandth data point, the difference between the signal
value at these points can be calculated. Create a global
variable with the formula DATA(1000)-DATA(1). The
result will be displayed in the chromatogram properties.
• Molar response percentage (by peak):

This requires the creation of three variables:

1. a peak user input whose name is MOL_RF. The


corresponding values must be entered in the peak
identification table for each peak.

2. a peak user formula, whose name can be INTERM,


that will be used as an intermediary variable and
defined by the formula: AREA *MOL_RF and
calculated for each peak.

3. a peak user formula, which is the molar percentage


of each peak, defined by the following formula:
INTERM/SUM(‘INTERM’)*100. The user will just
have to display this variable in the peak result table
to know the molar percentage of each peak.

• Name of the internal standard associated to each peak:

Three peak user formula variables must be created:

ISTDINDEX (integer) : ISTD(NAME)

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ISTDNAM (string): NAME(ISTDINDEX)

ASSOCISTDNAME (string):
IF(PEAKID=ISTDINDEX;’ ‘;ISTDNAM)
Display the ASSOCISTDNAME variable in the peak result
table. The internal standards will be assigned an empty
value; the no internal standard one will be assigned the
name of the associated internal standard
• Calculation of the capacity factor according to a non fixed
dead time value.

Two variables must be defined: one to impose the dead


time is equal to the retention time of the first integrated peak,
the second one to calculate the capacity factor according to
the value of the calculated dead time:

1- A global user formula variable, whose name is


EXPDEADTIME (experimental dead time) (real) defined
by the formula: RT(1)

2- A peak user formula, whose name is CAPACITY(capacity


factor) (real) defined by the formula: (RT-
EXPDEADTIME)/ EXPDEADTIME

• Noise: To calculate the noise between 1 and 2 minutes,


the difference between the signal maximum and
minimum can be calculated. Create a global variable
with the formula DATAMAX(1.0;2.0)- DATAMIN(1.0;2.0).
The result will be displayed in the chromatogram
properties. Note that the standard system variable
Noise_SDEV calculates an estimation of channel noise
standard deviation.
• Relative area (group variable): To divide the area of
each group by the area of the peak named Butadiene,
the corresponding formula is
G_AREA/AREA(‘Butadiene’). Once this variable is
defined, it is possible to display it in the group report.
• Peak validity 1: To check that the quantity is between
10 and 20 for each peak, create a peak variable with the
following formula: IF ((QTY>=10) AND (QTY <=20);
‘OK’; ‘not OK’). If this variable is selected in the peak
report, a new column will appear, stating OK if the
quantity of the peak is between 10 and 20 or

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alternatively not OK if the quantity is not between 10 and
20.
• Peak validity 2: There is another way of processing to
obtain a similar result. Define a Boolean with the formula
(QTY>=10) AND (QTY <=20). The result will be either
True or False.
• Prefix: To display the RUNNAME without the RUN ID.
Create a global user formula, with the following formula:
COPY(RUNNAME;1;POS(‘-‘;RUNNAME)-1).

• Relative response factor (peak variable): To divide the


response factor of each peak by the response factor of a
defined peak, the corresponding formula is RF/RF(‘name
of reference peak’). The first possibility is to type the
name of the peak instead of ‘name of reference peak’ in
the formula, the second possibility is to create a global
variable (for example ‘RefName’), which is a user input
and mandatory. The formula should be changed into
RF/RF(RefName). Before acquisition, the user will enter
manually the name of the reference (a default value can
be entered for the method), and all the response factors
of the peaks will be divided by the response factor of the
compound whose name will be specified in the
acquisition window.
• Relative quantity: To calculate the difference between
the quantity of a peak and the quantity of the previous
peak, divide it by the height of the next peak. Define a
peak variable with the following formula: (QTY-
QTY(PEAKID-1))/HEIGHT(PEAKID+1).
• Other variable: To calculate the area of the 10th peak
plus the area of the peak named ‘Benzene’ and divide
the result by the sample weight. Create a global variable
with the following formula:
(AREA(10)+AREA(‘Benzene’))/ SMPWT. The
corresponding variable will be displayed in the
chromatogram properties.

Usual Functions

The list of the usual functions proposed by Galaxie is detailed in this


part of the manual, as the syntax to respect (parenthesis, quotes, etc.)

In the following paragraph, X represents the identifier of the variable


on which the calculation is performed.
204 of 368 Galaxie Chromatography WS User’s Guide
• ABS(X): The result of this function is the absolute value
of the parameter. For example: ABS(SKEW)).
• ARCTAN(X): The result of this function is the arctangent
of the parameter.
• BOOLEAN: This function transforms the character
strings ‘TRUE’ and ‘FALSE’ into the Boolean values
TRUE and FALSE.
• CALCOEFF(‘compound’; ‘coefficient’): The result of this
function is the value of the specified coefficient in the
calibration table of the compound defined in the
parameters. For example, CALCOEFF(‘Benzene’;'a')
gives the value of the a coefficient of the benzene
calibration curve.
• CALCOEFF('compound'; ‘COR’): Using the previous
function, enter the special coefficient ‘COR’, and the
result will be the regression coefficient of the specified
compound curve. For example,
CALCOEFF(‘Benzene’;'COR')
• COPY(X;Y;Z): The result of this function is a part of a
variable value. X represents the variable name, Y the
position of the first character to copy, Z the position of
the last character to copy. For example the
chromatogram name is ‘first-quality-test’, and you want
to display ‘quality’, the variable to create is:
COPY(CHROMATONAME;7;13), where 7 corresponds
to the position of the ‘q’ and 13 to the position of the ‘y’ in
the entire chromatogram name.

• COS(X): The result of this function is the cosine of the


parameter.
• CSUM(‘X’): The result of this function is a real number,
and is the cumulative sum of the variable for the peaks
or groups (depends if it is a peak or a group variable).
The variable to be summed should be a real number.
For example, if the areas of the three peaks of a
chromatogram are 10,000; 50,000 and 20,000, then
CSUM(‘AREA’) equals 10,000 for the first peak , 60,000
for the second peak, and 80,000 for the last peak.
• DATA(integer) or DATA(real): The result of this
function is a real number, and is the value of the signal
for the slice or the retention time that is given as the
parameter. If the parameter is a real, the value of the
signal at the corresponding retention time will be given.
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However, if the parameter is an integer, the value of the
signal at the corresponding slice number will be given.
Data(10) will be the signal value of the 10th slice, while
Data(10.0) will be the signal value at the 10th minute.
• DATAMAX(integer;integer) or DATAMAX(real;real):
The result of this function is a real number, and is the
maximum value of the signal between two slices (if
arguments are integer) or between to times (if
arguments are real). The corresponding slices or times
are defined as parameters.
• DATAMIN(integer;integer) or DATAMIN(real;real):
The result of this function is a real number, and is the
minimum value of the signal between two slices (if
arguments are integer) or between to times (if
arguments are real).The corresponding slices or times
are defined as parameters. Datamin(0,1000) will be the
minimum value of the signal between the first and the
1000th slices. Datamin(8.2,8.5) will be the minimum
value of the signal between 8.2 and 8.5 min.
• Date: This function provides the current date. The result
of this function is a string. For example, the value of this
function could be ‘10/07/99’.
• DAYSBETWEEN: This function is useful to calculate the
number of days between two dates. DAYSBETWEEN
(a;b) compares the number of days between a and b.
The result is an integer. For example
DAYSBETWEEN('01/12/99';ACQTIME),
DAYSBETWEEN('today';CALDATE),
DAYSBETWEEN('december 12, 1999';'january 1, 1998'),
DAYSBETWEEN('today';'monday'). The character
strings describing the dates will follow the regional
settings for Windows.
• EXP(X): The result of this function is the exponential of
the parameter.
• FLOAT(X): This function is the inverse of string: it
transforms the parameter (a character string) into a real
number (only if possible, of course).
• FRAC(X): The result of this function is the decimal part
of the parameter. For example, FRAC(11.258) is 0.258.
• GROUPID: This function is useful for group variables. It
provides the index of the group for which the variable
value is calculated. For example,
AREA(GROUPID)/AREA(GROUPID-1) will be used to

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calculate the ratio of the area of the current group to the
area of the previous group.
• INT(X): The result of this function is the whole number
part of the parameter. For example, INT(11.258) is 11.0.
The result is a real number, whereas the result of
TRUNC is an integer.
• ISTD(‘compound name’) or ISTD(NAME): The result of
this function is the index of the internal standard
associated with the peak or the group set as a
parameter. If a peak variable is created with the formula
ISTD(NAME), the index of the internal standard
associated with each peak in the peak table will be
displayed.
• ISTDNAME(i): The result of this function is the name of
the ith internal standard (in the order of appearance in
the chromatogram properties).
• ISTDVAL('IntStd'): The result of this function is the
quantity entered for the internal standard which name is
'IntStd'.
• LENGTH(X) or LENGTH(‘text’): This function gives the
number of characters in the string set as a parameter.
For example, LENGTH(‘STRING’)=6.
• LN(X): The result of this function is the natural logarithm
of the parameter.
• LOWER(X) or LOWER(‘text’): This function transforms
the character strings into lower case. For example,
LOWER(‘STRING’)=’string’.
• MAX(‘X’) or MAX(‘X’;n):: This function calculates the
maximum value of the peak or group variable defined as
a parameter. This function can also be used to calculate
the nth maximum value.
• MAXID(‘X’) or MAXID(‘X’;n):: This function calculates
the index of the peak (or group) which has the maximum
value for the variable defined as a parameter. This
function can also be used to calculate the index of the
peak or group that has the nth maximum value.
• MIN(‘X’) or MIN(‘X’;n): This function calculates the
minimum value of the peak or group variable defined as
a parameter: MIN(‘AREA’) is the minimum area of the
peaks. This function can also be used to calculate the nth
minimum value: MIN(‘G_AREA’;2) is the 2nd smallest
group area.
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• MINID(‘X’) or MINID(‘X’;n): This function calculates the
index of the peak (or group) which has the minimum
value for the variable defined as a parameter:
MINID(‘AREA’) is the index of the smallest peak. This
function can also be used to calculate the index of the nth
minimum value: MINID(‘G_AREA’;2) is the index of the
2nd smallest peak.
• PEAKID: This function is useful for peak variables. It
provides the index of the peak for which the variable
value is calculated. For example,
AREA(PEAKID)/AREA(PEAKID-1) will be used to
calculate the ratio of the area of the current peak to the
area of the previous peak.
• PI: is the constant π.
• POS(X;Y): This function gives the position of a character
(or a group of characters) in a variable. For example you
want to know the position of ‘quality’ in the
chromatogram name ‘first-quality-test’. The variable to
create is POS(‘quality’; CHROMATONAME), the result is
7, corresponding to the position of the q in the
chromatogram name.

• POWER(a;b): This is a two-parameter function:


POWER(a;b) is equal to “a” to the power of “b”.
• REALEQUAL(a;b;c): This function is used to compare
two real numbers. The result of
REALEQUAL(a;b;epsilon) is TRUE if “a” equals “b”
within the tolerance epsilon, e.g.
REALEQUAL(HEIGHT;10,000;10) will be true if the
height is between 9,990 and 10,010.
• ROUND(X): This function is used to transform a real
number into an integer by rounding it to the closest
integer. ROUND(11.8) is 12 and ROUND(11.5) is 11.
• SIN(X): The result of this function is the sine of the
parameter.
• SQR(X): The result of this function is the square of the
parameter.
• SQRT(X): The result of this function is the square root of
the parameter.
• STRING(X): This function transforms the parameter (a
real number) into a character string: STRING(1.23) is
‘1.23’.

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• SUM(‘X’): The result of this function is a real number
and is the sum of the variable for all the peaks or groups
(depending if it is a peak or a group variable). The
variables to be summed should be real numbers. For
example, SUM(‘AREA’) equals the variable
TOTAL_AREA and is the sum of the areas of all the
chromatogram peaks.
• Time: This function provides the current time. The result
of this function is a string. For example, the value of this
function could be ‘15:22:30’.
• TRUNC(X): This function is used to transform a real
number into an integer by deleting the decimal part of
the number. Example: TRUNC(11.8) is 11.
• UPPER(X) or UPPER(‘text’): This function transforms
the character strings into upper case. For example,
UPPER(‘String’)=’STRING’.
• +: This function is useful to attach several character
strings: ‘Date: ’+Date equals ‘Date: 6/16/99’. The result
of an attachment with a character string will always be a
character string.

Variable Repository
The variables are associated with a method. If a variable is
defined in a method, and is needed for use in another method,
the variable can be stored in the repository:
1 Define the variables needed in the first method.
2 In the variable editor, click and drag them to the repository,
or move them with the arrows ( and ). It is possible
to remove some variables from the repository using the
button.

3 Save the repository using the button.


4 In the other method, open the repository using the
button.

5 Import the variables needed using the button.

It is possible to use the repository to move the changes that were


made on the standard variables (name, format…). Save the

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corresponding variables in the repository, open it in the method,
and then import them as different variables.

A repository named ‘Additional variables.REPO’ is available. It


contains the following peak variables.

AS13: peak asymmetry (half widths at 13,4%)


AS32: peak asymmetry (half widths at 32,4%)
AS50: peak asymmetry (half widths at 50%)
AS60: peak asymmetry (half widths at 60.7%)
FLAG1: if the peak is saturated (value of the ISSAT variable =
TRUE), then the variable has the value ‘Saturated’
FLAG2: if the height of the peak is inferior to the value of the
LOQ variable (limit of quantification), then the variable has the
value ‘Below LOQ’. Do not forget to add the LOQ variable in the
variable list.
FLAG3: if the start or stop peak markers have been defined
manually, the variable has the value ‘Manual integration’.
FLAG4: if the height of the peak is inferior to the value of the
LOD variable (limit of detection), then the variable has the value
‘Below LOD’. Do not forget to add the LOD variable in the
variable list.
LOD: limit of detection, the variable equals to NOISE*3 (do not
forget do add the COMPUTE NOISE ON and OFF integration
events in the integration table).
LOQ: limit of quantification, the variable equals to NOISE*5 (do
not forget do add the COMPUTE NOISE ON and OFF
integration events in the integration table).
PEAK SIGN: if the ISPOS variable value is ‘TRUE’, ‘the variable
has the value ‘positive’ and ‘negative’ if not.
P_ANNOTATION: if the peak is identified, the variable value is
the name of the peak if it is an unknown the variable value is its
retention time.
P_ANNO_NAME_QTY: the variable value is the name of the
peak plus its quantity plus its unit. Do not forget to edit the
variable and replace the word ‘unit’ by the correct unit in the
formula field.
P_ANNO_NAME_RF: the variable value is the name of the peak
plus its response factor.

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P_ANNO_NAME_RT: the variable value is the name of the peak
plus its retention time.
P_ANNO_RT_NAME: the variable value is the retention time of
the peak plus its name.
P_ANNO_RT_NAME_AREAP: the variable value is the
retention time of the peak plus its name plus its area percent.
P_ANNO_RT_NAME_CODE: the variable value is the retention
time of the peak plus its name plus its code (see the CODE
variable definition).
P_ANNO_RT_PGROUP: the variable value is the retention time
of the peak plus name of the group it belongs to, if any.
RF_SEC: the variable value is the response factor expressed in
Qty unit/µV.sec. It corresponds to the calculation RF*60.

NOTE: For all the annotation variables, do not forget to check the ‘annotate
unknown peaks’ option in the peak annotation screen and to select the
P_ANNOTATION variable in the Content field.

The ‘Additional variables.REPO’ file is stored in the GALAXIE /


SERVER/DATA SHARED directory (on the main server
workstation).

Baseline Monitoring / Quick Start / Sequence


The baseline monitoring allows the signal generated by the
system to be viewed, without the need of any injection. Quick
Start and Sequence allows injection of one or several samples.
During a baseline monitoring, no data file is generated
whereas during an acquisition (Quick Start or sequence)
data files are generated.

Before starting baseline monitoring or an acquisition, a method


must be prepared for the corresponding system
(chromatograph).

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Baseline Monitoring
To monitor the baseline before starting an acquisition, select the
menu ACQUISITION / MONITORING BASELINE.

A window appears in which it is possible to select which system


should be monitored. (When logged in with the All projects
mode, the project must first be selected). Now choose the
method to be used to condition the apparatus: The initial
parameters of the method are sent to the system so that it is
prepared for the analysis.

The signal is then displayed in the acquisition window (system


tab) as for normal acquisitions. When the system is ready, press
the stop button to cancel monitoring and allow the start of an
acquisition.

Quick Start

Single Acquisition

To start a single acquisition, select the menu ACQUISITION /


QUICK START or press the corresponding icon .

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The following window appears:

In this window, select the project associated with the acquisition


(if connected in all projects). The chromatogram will be stored
with the files associated with this project.

Next, select the system (chromatograph) for sample injection.


The Galaxie Workstation will only display the system names that
are associated with the specified project.

Now select the method that will be used to acquire and process
the sample. The Galaxie Workstation will only display the
method names that are associated with the specified system.

Press OK.

The Quick Start window now appears. The default acquisition


parameters set in the method are displayed in this window.

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In the Acquisition parameters tab, define all the parameters
common to all channels.

The name of the project, system and method just selected are
automatically displayed at the top of the window.

In the sample information section, enter:

• File prefix: This specified the first part of the


chromatogram name. The chromatogram name will be
completed with the identifier. The prefix should not
contain \ /:*?"<>|.

• The prefix can be generated automatically by the software


according to variables values. To define the ‘Token run
name’, click on the button, and compose the token by
selecting the variables (double click) in the list:

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• Run identifier: The second part of the chromatogram


name is specified here. The index is automatically
incremented in the case of the quick start.

For example, if the file prefix is ‘Run_’, and the identifier is 55,
the name of the chromatogram will be Run_55.data.

It is also possible to deactivate the Run identifier addition, by


unchecking the associated combo box.

NOTE: if the user is not assigned the right to overwrite chromatogram, and that a
chromatogram with the same name as the one defined in the quick start
screen already exists in the logon path, no message will appear to inform
the user, and the generated chromatogram name will be the user defined
name plus the acquisition date and time. The existing chromatogram will
not be overwritten.

In the other hand, if the user is assigned the right to overwrite


chromatograms, no message will inform him that a chromatogram with
same name exists, the chromatogram will be overwritten.

• Description: User can enter a description which may be


printed in the report.

In the column parameters section, enter the dead time (min).


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In the acquisition parameters section, enter:

• The vial number (alpha numeric value can be entered


according to the sampler type).
• The Rack number.
• The Injection volume.
• The Run Time (total length of the acquisition).
In the Calibration section, enter:

• Sample Type: define whether the chromatogram is a


blank, an unknown, a standard, a control sample or a
control sample of level i. According to the option selected,
the chromatogram process is different.

• Calibration mode: this option is available if the user is


assigned the right to overwrite calibration curve. It allows
the user to delete the existing curve and to build a new one
by selecting Clear old points, or erase only the points of
the defined level by selecting Clear level only, or add the
calibration point to an existing curve by selecting Add.

• Level: this option allows the user to define the level in


case of Standard or Control Sample (level i) sample type
selection.

• NOTE: If the sample type is Control sample (level i), and that in
the method a suitability test is defined with the action ‘Modify calibration
curve’, all the calibration points of the defined level will be replaced by the
value of this control sample
(level i) in case of suitability test failure.

Select the Channel X tab, to enter the parameters channel


by channel. The following screen is displayed:

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If a multi channel system is used, Galaxie offers the possibility to
define identical values for all channels (by default) or to enter
channel specific parameters if the option is defined in the chosen
method (refer to the ‘Acquisition’ part of the ‘Method’ section). If
this option is not defined, the user defines the sample properties
and the Working scale only in one tab; the other channel tabs
are automatically duplicated.

In the sample properties section, enter:

• Sample Mass: the mass of the injected sample


• Istd: internal standard quantity(is), if defined in the
calibration part of the method.
• M: multiplier factor
• D: divisor factor
• Global User Input: global variables defined by user.

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In the Working scale section:

Auto scale: If this option is checked, Galaxie adjusts the


chromatogram Y scale according to the max height signal. If not
checked, the user specifies the X and Y limits in the
corresponding fields. These limits will be the full scale in the
acquisition view (System tab) and in the Galaxie Workstation
main screen (Data tab) when opening the chromatogram. It is
possible to modify the scale of the chromatogram after its
acquisition, by pressing the icon (see Viewing results /
Chromatogram scale section).

NOTE: If only the part of the signal corresponding to the working scale is
displayed on the screen, remember that all points of the chromatogram are
stored in the data file and potentially displayable.

Force (0,0): forces the acquisition view to display the origin point.
This function doesn’t force the signal to pass through the origin.

In the Processing options section, specify which parts of the


process have to be executed by checking them.

When all the parameters have been defined, press the start
button . The control parameters are transmitted to
the system and the acquisition starts immediately or when the
Galaxie Workstation receives the automatic or manual start.

Note that the ‘Quick Start’ screen is almost the same as one for
the acquisition part of the method. The format (number of
significant digit, scientific format) of some options of the ‘Quick
Start’ is customizable in the acquisition screen of the associated
method, but NOT modifiable from the ‘Quick Start’ screen. The
customized variable formats are:

• In the ‘Sample Properties’ part: every variables


• In the ‘Column parameters’ part: the Dead time
• In the ‘Acquisition parameters’ part: the Run time
• In the ‘Working scale’ part: RT min and RT max
In the case of multi injector systems, the Quick Start function
starts as many acquisitions as injectors. As several
chromatograms are created (one for each injector), several

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acquisition windows are completed. Each injector gives its name
to the corresponding acquisition window.

Once project, system and method have been selected, the


following screen is displayed:

In the first injector acquisition window, the Next button allows the
access to the second injector parameters, and so on, according
to the injector number defined. To come back to the previous
injector screens, click on the previous button. Once all screens
are configured, click onto the Start button to launch all
acquisitions.

Sequence
To create a sequence, select the menu options FILE / NEW /
NEW SEQUENCE.

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A wizard guide is available for the first steps of the sequence
creation:

In this window, select the project associated with the acquisitions


(if connected in all projects). The chromatograms will be stored
with the files associated with this project.

Next, select the system for sample injection. The Galaxie


Workstation will only display the system names associated with
the specified project.

The Next button is now active, and the second step of the
method creation can be accessed to specify the number of lines
in the sequence:

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Each line corresponds to a sample. It is possible to add or delete
sequence lines after sequence creation.

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Press the NEXT button to access the third step of the sequence
creation:

Enter the name of the sequence in the first edit box. In the
description field, enter information about the sequence. This
information will be displayed in the open file window.

The OK button is now active, after this button is pressed; the


sequence is created and opened in Galaxie Workstation.

The following sequence information is displayed at the top of the


sequence graphic window:

• The name of the sequence.


• The name of the user connected / the name of the user
group / the name of the project containing the sequence
/ the name of the system associated with the sequence.

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• Near this information, the following sequence status
information is also provided:
IDLE: This means that the sequence has not been launched
yet or is still being created.
BEFORE RUN means that some control parameters have
been sent to the system, which is about to start.
RUNNING means that a chromatogram is being acquired.
COMPLETED means that the sequence has been closed
without any recorded errors.
ERROR means that a problem has occurred during
acquisition. A detailed message will identify which type of
error was recorded.
PAUSE AT THE END OF THE RUN: the sequence has
been paused at the user’s request, and the acquisition is still
running. The user will decide at the end of the run to perform
or not the rest of the sequence.
STOPPING RUN: the run is being stopped.
STOPPED: This message means that the sequence has
been stopped manually.
PAUSED: This message means that the sequence has been
paused manually.
SEQUENCE RESET: This message means that the
sequence has been reset and can be re-launched.
CONNECTION LOST: This means that a communication
problem occurred between the station and the instrument.
This is an abnormal state.
CONNECTION RECOVERED: This means that the
communication problem that occurred has been solved. No
acquisition points should be lost with this type of error.

The Sequence Columns

• No: This is the sequence line.

• Enabled: This specifies whether the corresponding


sequence line acquisition must be performed or not. The
acquisition is performed if the option is checked.

• Method: In this column the name of the method to be used


to acquire and process the chromatogram must be defined.

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• Method properties: In this column it is possible to
deactivate certain processing of the chromatogram. Press
the button and uncheck any process, which should not be
executed at the end of the acquisition (e.g. export, printing,
Summary report, Postprocessing).

• Run name (prefix): Specify the first part of the


chromatogram name in this field. The chromatogram name
will be completed with the identifier. This part of the name
should not contain such characters as \ /:*?"<>|.

• The prefix can be generated automatically by the software


according to variables values. To define the ‘Token run
name’, click on the button, and compose the token by
selecting the desired variables in the displayed screen. (see
Error! Reference source not found. / Error! Reference
source not found. chapter).

• Run ID (Suffix): Specify the second part of the


chromatogram name in this field. For example, if the file
prefix is ‘Run_’ and the identifier is 55, the name of the
chromatogram will be Run_55.data. This parameter has to
be an integer.

• Description: Information about the run may be entered in


this area. This information will be saved with the
chromatogram and displayed in the open file window and in
the chromatogram properties (DATA / CHROMATOGRAM
PROPERTIES). The description has a maximum length of
255 characters.

• Run time: Specify the total acquisition time in this field. The
time should be greater than 0.1 and less than 1000 minutes.
The sum of all the run times is displayed at the top of the
sequence.

• Injections Number: Allows repeat injection of the same


sample. The corresponding DATA files suffix will be
incremented automatically: e.g. sample-1, sample-2.

• Vial: The vial number can be entered for information


purposes only, or is used to specify which autosampler vial
number should be injected if the instrument is controlled.

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According to the injector installed, alphanumeric values can
be entered (refer to the injector constructor manual).

• Rack: The rack number is used to specify the rack number,


which contains the vial with the sample to be injected if the
controlled autosampler contains several racks.

• Inj. Vol.: The injection volume can be entered in this cell for
information purposes only or can be used to specify injection
volume for an autosampler, which is fully controlled by the
Galaxie Workstation.

• Sample type: Define, using this box, whether the injected


sample is a standard, an unknown, a blank, a control sample
or a control sample (level i).

• Calibration: If the injected sample is a standard, choose


whether the calibration point must be added to an existing
calibration curve (add), or if the existing calibration curve
must be overwritten (clear old points). The last possibility is
to delete all the points of the defined level by choosing Clear
level only.

NOTE: If the user is not assigned the right to overwrite chromatogram, and that
chromatogram(s) with the same name as the one(s) defined in the
sequence already exist in the logon path, no message will appear to inform
the user, and the generated chromatogram name will be the user defined
name plus the acquisition date and time. The existing chromatogram will
not be overwritten.

In the other hand, if the user is assigned the right to overwrite


chromatograms, no message will inform him that a chromatogram with
same name exists, the chromatogram will be overwritten.

• NOTE: if the sample type is Control sample (level i), and


that in the method a suitability test is defined with the action ‘Modify
calibration curve’, all the calibration points of the defined level will be
replaced by the value of this control sample (level i) in case of
suitability test failure.

• Level: If the injected sample is a standard, or a control


sample ( level i); choose the corresponding level in this cell.

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• Istd values: Press the button to enter the quantity(ies) of
the internal standards.

• User input: In this column it is possible to specify user input


variables if some have been specified in the method.

• Divisor: This variable is used to divide all the quantities


calculated for unknown samples by a factor. If owning the
corresponding profile (to define in Galaxie Configuration
Manager) the quantity of standards will also be divided by
this factor.

• Multiplier: This variable is used to multiply all the quantities


calculated for unknown samples by a factor. If owning the
corresponding profile (to define in Galaxie Configuration
Manager) the quantity of standards will also be multiplied by
this factor.

• Sample mass: Enter the total mass of the sample in this


field. This value is mandatory if the calibration mode defined
in the method is mass ratio or mass%.

• Dead time: This time corresponds to the time required for


the sample solvent (or any non-retained compound) to reach
the detector. This time is used for the calculation of the
selectivity and capacity factor.

All the parameters entered in the sequence are saved with the
chromatogram. Many are visible in the chromatogram properties
(DATA / CHROMATOGRAM PROPERTIES) once the
chromatogram has been acquired and opened in the Galaxie
Workstation. The following ones can be modified in the
chromatogram properties: user input variables, description,
sample mass, divisor, multiplier, dead time, Internal standard
values.

Use the icon to hide columns if you do not need to modify


their content.

NOTE: If defining “Blank” sample(s) in the sample type column, and use a method
with a chromatogram name defined in the pre processing part, the blank
subtracted will be the one defined in the type column.

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Filling the Sequence

Each line corresponds to one sample.

In the first column of the sequence, select the name of the


method to be used to acquire and process the chromatogram
corresponding to the current line. Most of the cells in the line are
filled using the values set in the acquisition part of the method; of
course, these values can be modified later.

Next, fill the other columns. The sequence bar provides support
tools:

This icon clears the content of all the cells of the


sequence.
This icon clears the unselected lines of the sequence
This icon adds a line at the end of the sequence.

This icon deletes the selected line.

This icon moves the selected line up.

This icon moves the selected line down.

This icon fills several cells of the same column


according to the content of the first one. For example, to
fill the ‘Run ID’ column, select the cells to be filled in the
column, then fill the first cell with 1. Press this icon. A
window appears allowing to define the way the number
will be increased. Press OK, and the cells are filled up. If
the column contains a real value or the method, the
content of the first cell is simply copied, then pasted in
all others.
This icon permits selected columns to be hidden. Press
this icon, and a window called ‘Columns’ appears.
Unselect the columns to hide then click on OK. Be
careful not to hide cells that must be filled in before the
run.

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The Method properties, User input, Information and Istd values
columns are filled using the button. The size of the columns
can be easily modified. Place the mouse between the headers of
two columns: the cursor’s appearance is modified ( ) then click
on the limit between the two columns and drag it to the new
position. In the same way, if you click on a column header and
that you drag it to a new position, the column order is modified.

The sequence column order, the size of the columns and the
hidden column configurations are saved with the sequence.

Some columns of the sequence have to be filled completely


before the sequence is started: the method, Run name, Run ID,
Run length, any mandatory user input variables if existing, the
internal standards values and the sample mass (if working in the
corresponding calibration mode).

Once the sequence is filled, save it.

Multi Injector System

The Galaxie Workstation can acquire data on multi injector


system. The sequence functioning is described below for a
double injector.

If a system is composed of two injectors, the sequence works


differently. In fact, two acquisitions are run simultaneously on
one system. The sequence takes into account the two injectors.

Creation: during sequence creation, the user is asked to enter


the number of lines. In the case of double injector, each injector
will have the specified number of lines. The total number of lines
of the sequence will be two times the specified one. For
example, if a sequence is created with 7 lines, the first injector
will be assigned 7 lines, the second injector 7 lines, and the
whole sequence will have 14 lines.

Method column is not filled in as a single injector sequence. Both


lines of the same run must be assigned with the same method. If
the method field is entered for the first injector, the second
injector one will be automatically copied.

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Sequence visualization: three buttons change sequence
displaying.

Display only the first injector lines.

Display only the second injector lines.

Display all the lines of the sequence.

Number of lines: respectively, the and buttons add or


delete one run (Two lines). Each line corresponds to an injector.

Lines selection: If the two injectors have been selected in the


method, every 'Enabled' boxes are active; they can be checked
or unchecked according to user need. But if an injector has been
unchecked in the method, the corresponding lines will be
disabled and inactive in the sequence.

Acquisition: The Start Pause and Stop buttons


work simultaneously for both injectors. The two lines of the same
run are acquired at the same time and are displayed in yellow
when sequence is running.

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If working in Specific Channel Parameters mode (see
acquisition part of the Method section), some variables (Multiplier
and Divisor factors, sample mass, Istd values, User inputs
variables) are channel dependent. That means that for those
variables a value must be entered for each channel (of each
injector in the case of a multi injector system).

Some rules have to be taken into account to fill the sequence:

• Fill block for M, D, Sample mass: it is best to fill the


block from each channel injector, if entered from the ‘All’
screen the value of the first line will be copied on all
channels of all injectors.

• Fill block for Istd and User inputs is realized by injector,


the values entered for the first injector cannot be copied
for the second injector.

Bracketing

With the normal calibration building mode, the standard


chromatograms have to be acquired before the unknown ones.
However, an option allows you to bracket the unknown
chromatograms with standard runs:

To activate the bracketing option, open the sequence and check


the Bracketing box, in the top right part of the sequence. The
Calibration column disappears and a Bracketing column
appears.

To bracket samples by certain standards, fill the sequence in the


acquisition order and enter the same bracketing identification, B1

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for example, the following acquisitions can then be part of
another bracketing.

Two bracketing can be overlaid:


Run Suffix Run ID Standard Level Bracketing
Run 1 Standard 1 B1
Run 2 Standard 2 B1
Run 3 Unknown B1
Run 4 Unknown B1
Run 5 Standard 1 B1+B2
Run 6 Standard 2 B1+B2
Run 7 Unknown B2
Run 8 Unknown B2
Run 9 Standard 1 B2
Run 10 Standard 2 B2
The processing of the chromatogram acquired in sequence with
bracketing is made after the acquisition of the whole sequence.

In the previous example the 10 injections are performed, and


then the calibration curve of the first bracketing is created with
the four standard chromatograms Run1, Run2, Run5 and Run6.
Then the first two unknown chromatograms (Run3 and Run4)
are then processed with this calibration curve.

This calibration curve is then archived and deleted and a second


calibration curve is created with the four standard
chromatograms Run5, Run6, Run9 and Run10. The last two
unknown chromatograms (Run7 and Run8) are processed with
this calibration curve.

To fill the bracketing column, enter the bracketing numbers


separated with a ‘+’; for example ‘B1’, ‘B2’ or ‘B1+B2’ or use the
button to access the following window:

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This window allows you to easily fill in the bracketing column:
Check the Overall bracketing box if the sample chromatograms
should be created with a calibration curve containing all
standards of the sequence.
Otherwise, for the first bracket enter B1_ and press the OK
button. The cell is actualized with ‘B1’.
Then for the second bracket, press the Next bracket >> button.
B1_ is changed in B2_ and press the OK button. The cell is
actualized with ‘B2’.
If the two brackets should overlay, press the Next bracket >>
button in the second bracket zone and press the OK button. The
cell is actualized with ‘B1+B2’.

NOTE: A maximum of 10 brackets can be defined. The use of bracketing is


forbidden when using a multi-injector system.

NOTE: If control sample is selected as sample type it is impossible to use Bracket


option

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Use of System with a Prep Ahead AutoSampler

If the system associated with the sequence is fitted out with a


sampler which can prepare the sample to inject (mixing of
sample, heating, stirring), a field which allows specification of
the maximum number of samples to prepare in advance is

displayed above the grid of the sequence: .

Some restrictions are imposed in the sequence building and


use:

• The same method must be defined for all lines

• The vials must be consecutive

• The same rack number must be defined for all lines

• Do not change the line order, add, delete insert or


duplicate line, define multi injection per line or pause the
sequence while it is running

NOTE: The preparation time of the sample is indicated in the Run Log of the
chromatogram.

Running a Sequence

By pressing the Start icon, the sequence begins with the


first acquisition.

It is possible to deactivate some of the acquisitions of the


sequence by unchecking the ‘Enable’ cell of the corresponding
lines.

If chromatograms already exist with the same file names, a


warning message appears to inform the user that the files will be

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overwritten, or, if he does not own the corresponding right
(profile defined in the Configuration Manager), force him to
change the chromatogram names.

When a sequence is started, the chromatograms are acquired


one after the other in the defined order. The lines corresponding
to chromatograms that are already acquired (those with
associated Enabled option unchecked) are colored in green and
the chromatogram that is being acquired is colored in yellow:

It is possible to insert additional acquisition lines (or modify


existing lines) after the current chromatogram line that is being
acquired (in yellow) during the sequence. Select the position of
the new line to be inserted, and then click on the corresponding
gray margin and select insert. A new line is inserted. To add a

line at the end of the sequence, press . Fill it and the


sequence lines will be acquired using the updated order. To

remove a line, select it and press .

To insert an acquisition line just below the current line, it is better


to first pause the sequence ( icon). The current running
sequence line continues until the specified acquisition time, but
the next acquisition will not be started. To re-start the sequence,
press the Start icon.

The Stop icon stops immediately the sequence.

To restart the sequence from the beginning, press first the Reset
icon and then the Start icon .

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NOTE: The sequence can be stopped automatically after a chromatogram process
in case of Suitability test failure (see page 159), or Summary report
variable test failure (warning or control) (see page 298). In both cases the
user must have defined the ‘Stop sequence’ or ‘Stop running sequence’
action respectively for Suitability test and Summary report.

Printing a Sequence

When a sequence is opened and selected, press the icon


or select the menu FILE / PRINT.

The following window appears:

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This window lists all the sequence columns. Check all columns
to be printed and press the OK button.

The sequence is printed.

Viewing an Acquisition
To view a chromatogram during its acquisition, select the
“Systems” tab. In the main screen, all the systems defined in the
project in which the user is connected are listed in the browser. If
connected in “all projects”, all the systems defined in the group
are listed.

In the browser, select the system(s) to view, their name is then


preceded by and the selected system(s) is(are) automatically
displayed. A tab is created for each new system in the right part
of the screen. In the case of multi injector, visualization remains
identical.

An idle system is preceded by the symbol, a system which is


downloading the method or is waiting for the injection by ,
and a running system by .

To remove a view, uncheck the system performing the


acquisition in the browser, the tab associated to the system is
automatically removed.

Selecting the Information to Display

Select the “Systems” tab in the browser.

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The acquisitions can be displayed system by system, or the
same information can be displayed for several acquisitions on
the same page.

Click on to display all the information concerning


an acquisition on a single page. Click on to display
the information concerning the acquisitions according to type.
(For example: all the chromatograms or the system status
information, or both.)

• System mode

In the browser, all systems that the user is allowed to view


are listed (the list depends on the project of the user).

For each system, there are two sections: Chromatogram and


Status.

If Chromatogram is checked for a particular system, a page is


created containing the chromatogram. If Chromatogram and
status for another system are checked, the new page will be
separated between the section for the chromatogram and the
section for the status.

• By type mode

There are two sections in the browser: Chromatogram and


Status.

In each section (chromatogram and status), all systems


which the user is allowed to control are listed.

If all the systems are checked, they will be displayed


together. Four chromatograms can be displayed on each
page, so if there are more than four selected systems, the
other chromatograms will be displayed on a new page.

When “Status” is checked, information regarding the status of the


acquisition system is displayed. The display will differ, depending
on the exact system configuration, e.g. whether the
chromatograph is using full control drivers, etc.

If the system is not unchecked, and a new acquisition is started,


the new acquisition will be displayed in the same window.

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NOTE: It is best to not view simultaneously a great number of chromatograms or
status. Doing so could lead to a problem with a virtual memory leak.

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The Acquisition Window

The Tasks Bar


Stops the current run. If the instrument is fully controlled, the
Galaxie Workstation does not receive any information that the
instrument is stopped. It is therefore necessary to stop the run
within the software. The Galaxie Workstation will ask for a
confirmation before stopping a run. Only the person who started
an acquisition has the right to stop it, except some users that have
the right to stop any running acquisition. (This level of privilege is
defined in Galaxie Configuration Manager)

Modifies the acquisition time. Note that by decreasing the


acquisition time to a value less than the current run time, the
acquisition will be stopped.

Displays the chromatogram with automatic scaling: both scales


are continuously updated after each acquisition points, such that
the entire chromatogram is displayed.

Displays the chromatogram in a fixed window. The parameters


can be changed in the properties (see the corresponding icon
below).

Sets the parameters for the x-scale that moves along as the
acquisition runs. It is possible to view only the last minute of
acquisition, for example. To modify the width of this window, use
the properties (see the corresponding icon just below) and in the
scrolling section, it is possible to change this default value.

Stacks the view of the two acquired chromatograms if there are


several traces (several detectors).

Overlays the two acquired chromatograms if there are several


traces (several detectors).

Synchronizes X axis of acquiring chromatograms. If one


chromatogram is zoomed or moved, every chromatograms of the
acquisition window will be also zoomed and moved.

Modifies the acquisition view properties.

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Acquisition View Properties
To look at the chromatogram viewing properties during

acquisition, click on the icon. First, select the


chromatogram to modify. The following window appears:

It is possible to define the colors of the chromatogram trace. To


modify the colors of a trace, select the chromatogram channel to
be modified in the 'Detector' zone, and then click on the color
box to select the new color.

If peaks have been identified in the acquisition method (peaks


identification section), it is possible to display their theoretical
identification window on the chromatogram during acquisition.
Select “RT of identified peaks” option.

It is also possible to display a chromatogram as a reference. The


new chromatogram will be overlaid with the reference. Press the
Open icon ( ) and select the chromatogram to overlay in the
Open file window and the chromatogram channel to overlay with

the box. To hide the reference chromatogram for a


moment, uncheck the Reference chromatogram option.

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• In the ‘Scroll mode’ zone, select the acquisition view:

Standard view: In this view, the X-scale is updated to the


current acquisition time so that only the already acquired section
is viewed. The Y- scale is automatic by default, but fixed limits
can also be set (in the Y axis zone by unchecking the Auto
option). An automatic scale means that the minimum is set to the
minimum signal value and the maximum is set to the maximum
signal value: the Y-scale is large enough to display all the
acquisition points.

Fixed view: In this view, the X-scale is fixed, by default between


zero and the expected acquisition time. The Y-scale is automatic
by default, but if ‘Auto’ is unchecked, the corresponding values
are set as fixed limits. The limits of the X-scale can be changed
in the X axis field.

Scrolling view: This view shows only the last acquired points,
within a width defined in the ‘Scrolling’ field. By default, the last
acquired minute is shown. The Y-scale is either fixed or
automatic.

Acquisition view display


Chromatogram plot and the following information are displayed
on the acquisition view:

• System name - Channel name [Unit]

• Injector name – Elapsed time /total time

• Chromatogram name

• Method name

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Acquisition Directory
It is possible to save the chromatograms in a different directory
each day or in a directory depending on the instrument or user
that performed the acquisition, etc. The special directories, which
can be created to save the chromatograms, are called token.

For example you can start the same sequence with the same
chromatogram every day but save it in a directory named after
the actual date.

Token mode is defined per a profile defined in the Galaxie


Configuration Manager.

Stop or Start a System


It is possible to stop or start a system from the Galaxie
Workstation, as it is in Galaxie Configuration Manager. The
functions are available via the Systems tab: select a system and
click on start or stop in the popup menu (double-click on the right
mouse button). This option has to be set in the profile in Galaxie
Configuration Manager (acquisition / ability to start or stop
system).

The stop releases the system and the associated Star 800 MIB
channels if the system is running with the interface Star 800 MIB.
The corresponding service is stopped, the system is idle. The
start function starts the service associated to the system.
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It can be useful to stop a system without opening Galaxie
Configuration Manager, in order to carry out maintenance
operations.

Exiting the Galaxie Workstation while an Acquisition is


Running
If a sequence is running, it is not possible to close the Galaxie
Workstation. If a Quick Start is actively running and the Galaxie
Workstation is closed, the acquisition will continue and be saved,
but will not be processed (note that the report will not be printed).
The chromatogram will then be processed as soon as it will be
open in Galaxie Workstation.

The Calibration Curves


A calibration curve consists of a series of individual calibration
curves for each compound. The file is identified by a specific
name.

For example, assume that there are three compounds in


standard chromatograms, e.g. Glycine, Arginine, and
Methionine, and the corresponding calibration curve is named
‘Amino Acids’. There will be a global calibration curve called
‘Amino Acids’, which will contain three calibration curves: one for
‘Glycine’, one for ‘Arginine’ and the last curve for ‘Methionine’.

Calibration Curve Configuration


The calibration curve configuration is defined in Galaxie
Configuration Manager: the calibration curve can plot either
quantities versus responses (area, height, area%, height%,
area1/2, height1/2) or responses versus quantities.

Building a Calibration Automatically


To create a calibration curve, the calibration method must be
configured correctly (see page Error! Bookmark not defined.).
Define at least the following parameters.

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1. Select ‘Curve’ in the Factor list box.

2. Specify the name of the calibration curve in the


Calibration curve / File field and the unit of the
standards in the Standard / Unit field.

3. Complete the calibration table:

• Define the regression models and point-weighting mode.

• Define the amount of compounds for each level in the


standard sample table.

When the method has been created and saved, it can be used
to create calibration points.

1. If the standard chromatograms have already been


acquired:

Open the chromatograms to reprocess and then select the


PROCESSING / REPROCESS menu. In the Reprocessing
window, select the name of the first standard chromatogram and
the name of the method.

Now, select the appropriate calibration level from the calibration


table column. This level should display the same standard
amounts which correspond to the current sample standard
amounts. Check ‘Clear old points’ to delete all the existing
calibration points or check ‘Clear this level only’ to delete only
those calibration points corresponding to the same calibration
level. To add the calibration point to an existing curve, do not
check anything. The cleared calibration points are not completely
deleted, but archived.
Now press ‘Reprocess’ to add the points.

Repeat the operations for all standard chromatograms (or use a


reprocessing list see page 265), take care to uncheck the boxes
'clear old points' or 'clear this level only' to add the next points,
then close.

2. If the standard chromatograms have not been acquired:

Select the ACQUISITION / QUICK START menu options. Select


the appropriate chromatograph and method, and then fill in the
acquisition parameters in the Quick Start window.
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In the Calibration section, select the appropriate calibration level,
according to the values entered in the calibration table. Check
Clear old points to delete all the existing calibration points or
check ‘Clear this level only’ to delete only those calibration points
corresponding to the same calibration level. To add the
calibration point to an existing curve, do not check anything. The
cleared calibration points are not completely deleted, but
archived.

The acquisition can now be started.

Repeat the operations for all the standard chromatograms and


then close.

When the calibration curve has been created, open the


Calibration page to view the results. A calibration curve can also
be created automatically during a sequence.

Building a Calibration Curve Manually


It is possible to add calibration points without using a standard
chromatogram by entering point coordinates or by using a curve
equation.

In the calibration point table, right click and select ADD POINT
MANUALLY or ADD POINT FROM EQUATION from the sub
menu. A window will appear which contains two selections:
“From equation” and “Manually”.

• Manual point addition.

In the “Manually” page, select the number of points to be


added.

For each point, enter the response in the corresponding


column and the amount in the other column.

Select the calibration level corresponding to the points. The


level will be useful if adding calibration points from a
calibration chromatogram after the manual entries. If the
level of the manually added point is X and ‘average level ‘is
checked in the method calibration part, this point is taken in
account in the average calculation. When a level X point is

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added, if ‘Delete this level only’ is checked, the manually
added point will be canceled.

Press the OK button.

• Point addition from a curve:

In the “From curve” page, enter the curve equation from the
drop-down list. Some existing linear equations are already
entered for convenience. All that is needed is replacement of
the polynomial coefficients in the existing equations. The
sign ‘^’ means “to the power of.”

Select the number of points to be added.

For each point, enter the response in the corresponding


column and then press Compute. The amount corresponding
to the response in the equation is calculated and displayed
in the other column.

Select the calibration level corresponding to the points. The


level will be useful if adding calibration points from a
calibration chromatogram after the manual entries. Press the
OK button.

Displaying a Calibration Curve


To view a calibration curve, select the FILE / OPEN / OPEN
CALIBRATION CURVE menu or use the icon “Open” and
choose OPEN CALIBRATION CURVE in the sub menu.

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The calibration curves of all the compounds are listed in the
browser.

When selecting a compound in the browser, the calibration curve


of the corresponding component is displayed in the right panel.

Near the plot are shown:

• The global name of the curve, which is the file


containing the calibration curves of every
compound in the standard chromatogram.

• The name of the compound itself.

• The last date and time modification.

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Calibration curve

Regression model

Calibration point table

♦ The calibration curve

In this curve, the calibration points are shown and the regression
model is drawn.

In this curve, as in chromatograms, both zoom in and zoom out


functions are available. The curve may be copied to the
Clipboard, and the graphic properties can be changed.

It is possible to zoom in on the graphs by pressing the left mouse


button in the top left-hand corner of the area to magnify and
keeping it pressed until the bottom right-hand corner is reached.

• If the left mouse button is clicked, then dragged


from the bottom right-hand to the top left-hand
corners, the graph is brought back to full scale.

• A right mouse click within the graph area will


display a popup menu with the following options:
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Full scale: Returns graph to full scale.
Zoom in: Returns graph to the previous zoom in.
Zoom out: Returns graph to the previous zoom
out.
Copy: Copies the curve as it appears on the
screen (in order to paste it into another application
using the local paste function).
Properties: Accesses the curve properties to
modify its display.

NOTE: When the Average RF model is chosen, the curve shows the response
factor (RF) versus the different calibration points (# point).

To deactivate a single point on the curve, double-click on


the point to be deactivated in the browser or click on the
point in the calibration table. The color of this point is
changed to gray, and the regression model is automatically
recalculated without use of the deactivated point. To
reactivate a point, double-click on the deactivated point in
the browser or click on the point in the calibration table, and
the color will change to match the other active points.

♦ The Model panel

The regression model is displayed in the Model panel with


parameters quantifying the integrity of the regression. The
regression model can be modified and the curve will be
automatically recalculated.

In the Model panel, the following elements are displayed:


The results, which are the theoretical equation of the
regression curve, the regression coefficient, and the
numerical value of the equation coefficients (a, b, c, etc.).

• NOTE: If the Average RF model is chosen, the following curve


related variables are displayed:

RF= Average response factor:

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N
Qi
RF = ∑
i =1 Ri

RSD= Response factor_Standard deviation

1
∑ N − 1 ( RF − RF )
N
2
RSD = i
i =1

%RSD= Response factor_Relative Standard deviation

RSD × 100
% RSD =
RF

N= the number of calibration points

It is possible to modify the regression model in this panel


and to immediately view the results of the entire page
(calculation of the regression curve and coefficient, curve
display).
Different regression models are available:

Point to point: The calibration curve is composed of


lines drawn between the calibration points.

Polynomial: It is possible to modify the order of the


polynomial. A calibration curve can be modeled with up
to a 5th order polynomial. The polynomial regression can
be forced through zero (for example, in case of a one-
point calibration, the polynomial will be of order one and
forced though zero).

If there are not enough for the calculation (e.g. only one
point available for a 2nd order polynomial), the order of
the polynomial is reduced, and a message is displayed in
the panel (below the polynomial coefficients).
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Power: this is a y=axb model.

Exponential: this is a y=a ebx model.

Logarithm: this is a y=a + b ln x model.

Average RF: If that model is chosen, it will imply


automatically a linear model, force (0, 0) and 1/x2
weighting for the curve building. When the Averaged RF
model is chosen, the other options which are set
automatically cannot be changed until the calibration
mode is changed.

• The Display panel

For both Standard and Advanced modes, it is possible to display


the logarithm axis scales, by checking the X log scale or/and Y
log scale boxes. These options can be interesting for curves for
which the regression model is a power for example, it enables to
view curve under a linear model, as displayed in the following
example:

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The confidence intervals can be chosen by the user (between 1
and 6 SD-Standard Deviation). Those intervals are displayed
whatever the chosen model (linear, polynomial, etc.)

• A Lock Model button can be found at the bottom of the panel.


This locks the calibration curve after it has been validated.

Different weighting models are available:


None: This assigns the same importance to all
calibration points.
x: This model calculates each calibration point using a
weight proportional to the abscissa of the curve.
x2: This model calculates each calibration point using a
weight proportional to the square of the abscissa.
1/x: This model calculates each calibration point using a
weight proportional to the inverse of the abscissa.
1/x2: This model calculates each calibration point using a
weight proportional to the square of the abscissa inverse.
log x: This model calculates each calibration point using
a weight proportional to the decimal logarithm of the
abscissa.
ln x: This model calculates each calibration point using a
weight proportional to the natural logarithm of the
abscissa.

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1-N: The weight of each new point is equal to the sum of
previous point weights. For example, for 5 points, the
weights are respectively: 1, 1, 2, 4, 8. A Lock button can
be found at the bottom of the panel. This locks the
calibration curve after it has been validated.

♦ The calibration points table

This is a table containing all calibration points with information


about the source chromatogram and their addition.
#: Index
Used: Check or uncheck the boxes to activate or deactivate the
calibration points.
Name: The name of the point corresponding to the order of
addition.
Response: This column is the response (area or height) of the
peak or the response of the compound divided by the response
of the corresponding internal standard.
Quantity: This column is the compound amount or the
compound amount divided by the corresponding internal
standard amount.
RF: This column gives the response factor of the peak.

Chromatogram: This is the name of the source chromatogram


from which the calibration point was added followed by its
acquisition channel number in parenthesis. If the point was
created manually, the cell content is “User defined”. If the point
was added from a curve, the cell content is based on the curve
equation.
Date: This column gives the acquisition date and time.
Recalculated quantity: This column displays the projection of
the calibration point where the quantity is recalculated to fall on
the regression curve while maintaining the same response.
Res%: The residual standard percentage. It is calculated with
the following formula:
y − y&
Res% = × 100
y
where
y is the quantity entered in the calibration table.

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y& is the recalculated quantity.
Time: The retention time of the peak corresponding to the
compound in the standard chromatogram.
Level: The level defined in the calibration method. This is the
level specified before the acquisition or the reprocessing.
Username: The name of the user who created the calibration
point.

NOTE: The format of the response factors, the response and the retention time
can be modified. Right click in the calibration result table and choose the
Format menu.

The following screen appears:

Click on the variable you want to modify the format:

The new format is applied only in the calibration result table and in the
Model panel for the RF.

♦ Activating and deactivating the points

Some calibration points can be far from the calibration curve


(check the residual percentage). In this case, deactivate them,

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and the regression model is automatically recalculated without
these points. Save the curve to use it for unknown samples.

There are two ways to deactivate or reactivate a point:

• In the calibration point table at the bottom of the panel,


check or uncheck the “Used” boxes to activate or
deactivate the calibration points.
• The last possibility is to double-click on the point in the
browser.
A deactivated point is displayed in gray in the curve, the ‘Used’
box is unchecked in the calibration point table, and the icon
is displayed in the browser.

An activated point is displayed in blue in the curve, the ‘Used’


box is checked in the calibration point table and the icon is
displayed in the browser.

The Archives
Calibration curves are archived only if the corresponding profile
has been associated with a user in the Galaxie Configuration
Manager (Audit trail profile).

An archive is created each time a point is added in the


calibration curve.

The archives can be displayed either by component or by date.

Click on the button to display them by component, or


click on the button to display them by date.

Click on the name or the date of the archives to display it in the


right panel. The calibration curves are locked once they have
been archived but the calibration point values and the regression
model parameters can be viewed.

NOTE: The displayed archiving date does not correspond to the curve creation date
but to the date on which it was replaced by another one, i.e. the curve
creation date of the new calibration curve.

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NOTE: An archived calibration curve can be used to reprocess chromatograms.
Consult the Audit trail of the curve ( ), click on the Get archive button (if
your profile allows you to do this operation). The current calibration curve is
then replaced by the old one.

Printing a Calibration Curve

To print a calibration curve, open it then click on the icon.


The following screen is displayed:

The user selects a defined report in the list, he can edit it by


pressing the Edit button, create a new one by pressing the New
button to customize the report, or refresh the list by pressing the
Refresh button.

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Manual Integration and Identification

Manual Identification
If the peaks are not well identified, it is possible to rename them
manually within the peak report table (peak results).

Double-click on the Name cell for the line of the peak to be


renamed. Type the name of the peak in this cell.

If some reference peaks are identified manually the non-


reference peaks will be identified according to the new reference
times.

Manual Integration
The manual integration toolbar helps you to define the peaks
manually (modify their start and stop time, delete or add…), the
same modifications can be made within the peak results table,
by changing manually the start and end retention times of peaks.

If the manual integration toolbar is hidden, select the DISPLAY /


TOOLBARS menu and check Integration. The toolbar appears:

• Select mode
This is the normal mode. If Select mode is pressed, it is possible
to click on the markers in the graph to select them.
Another possibility is to click on the corresponding peak in the
peak result table.
The third possibility is to press the right mouse button within the
peak (in the graph), then choose PEAK / SELECT in the popup
menu.

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The selected peak is highlighted in yellow in the peak result
table, and its markers are highlighted in yellow in the graph.

• Move marker mode


Press this icon to move a marker manually in the graph. Click on
the marker to be moved, and then click a second time on the
marker’s new location on the graph.
Another possibility is to display the Start and End columns in the
peak result table and to manually enter their new position.
A marker cannot be moved before the previous marker or after
the following marker.
Use the Move marker mode to move the integration events or
the baseline. To move the baseline without the peak markers,
hide the peak markers (press the display peak markers icon )
and move the squares symbolizing the edges of the baseline as
for the other markers.

It is also possible to enforce or not the baseline on signal:

When the Force baseline on signal option is used the baseline


markers are always attached on the signal.

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If that option is unchecked, it is possible to put the baseline
marker wherever you want:

• Add peak mode

Press this icon to add a peak. Click on the location of the start
marker, and then click on the location of the end marker.

If the two markers are added inside a peak, a shoulder peak is


created:

The baseline of shoulder peaks is always a line, either


exponential or linear. It is possible to define the shoulder
integration mode (tangential or exponential) before moving
markers, in the sub menu of the icon:

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• Split peak mode

Press this icon to split a peak. Click the right mouse button at the
point where the peak should be split, and a valley marker is
created at this location.

Another possibility is to press the right mouse button at the point


where the peak should be split, then select the PEAK / SPLIT
option from the appearing popup menu.

A shoulder peak (or a mother peak) can be manually split.

• Delete peak

Select one peak (in the graph or in the table) as described above
then press the Delete peak icon.

Another possibility is to first select the peak, then press the right
mouse button within the peak result table, and select DELETE
CURRENT PEAK from the popup menu.

The peak that will be deleted using the two possibilities


described above is the selected peak. This means that the peak
highlighted in yellow within the peak result table and whose
markers are highlighted in yellow within the graph is deleted.

The third possibility is to press the right mouse button within the
peak in the graph and then select PEAK /DELETE from the
popup menu.

• Merge peaks mode

Select one peak (in the graph or in the table) that as has been
splited into 2 peaks or that has a common marker with another
peak (valley), then press the Merge peaks icon. The current peak
is deleted and the next peak is extended to the left in order to
include the deleted peak.

• Undo

Press this icon to undo the previous manual action.


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Manual Operation History
All the manual operations performed are listed in the
chromatogram file.

Click on Results, then Manual operation in the browser to view


the manual operation history displayed in the right panel.

The manual operations are either manual integration or manual


identification.

The date and time of the operations are listed, along with the
nature of the modification that was made.

Press the right mouse button in this panel and select UNDO
LAST ACTION in the popup menu to cancel manual operations
one after the other.

When saving a manually modified chromatogram, the manual


operations are saved along with this history.

NOTE: It is possible to print the manual operation list in the report.

Modifications due to Manual Operations


When a peak is added or when the markers of a peak are
moved, the variables are updated with the new response values.

But, if the chromatogram is a standard one, the modifications are


not automatically taken into account. It will be necessary to
create some calibration points with this chromatogram again,
and to deactivate the previous ones. Enter the Reprocessing
window to add the points (PROCESSING / REPROCESS /) and
open the calibration curve in the corresponding tab set (FILE /
OPEN CALIBRATION CURVE) to deactivate the points.

NOTE: To reprocess a chromatogram, without losing the manual integration,


select the menu PROCESSING / REPROCESS, and uncheck the Clear
Manual operation box in the options page.

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Reprocessing a Chromatogram
Once a chromatogram has been acquired, it is possible to
reprocess it with another method.

The chromatogram should be opened in the Galaxie Workstation


to be reprocessed in the single reprocessing window.

Choose the menu PROCESSING / REPROCESS to access the


reprocessing window:

The ’Parameters’ tab:

In the Chromatogram zone, select the chromatogram file to


reprocess from the list of all the chromatograms opened in the
Galaxie Workstation.

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If some properties of the chromatogram have to be changed
before the reprocess (multiplier factor, divisor factor, sample
mass, internal standard values, dead time) click on the
Properties button and define the new values.

Then choose the method in the corresponding field. If


‘Chromatogram method’ is chosen, the method from the
chromatogram file is used. If another method should be used,
choose ‘Method file’ and press the open icon ( ) in order to
choose a method.

In the Calibration section, define in the Sample Type field


whether the chromatogram is a blank, an unknown, a standard, a
control sample or a control sample of level i. According to the
option selected, the chromatogram process is different. In the
Calibration mode field (available if the user is assigned the right
to overwrite calibration curve) define whether the user will delete
the existing curve and build a new one by selecting Clear old
points, or erase only the points of the defined level by selecting
Clear level only, or add the calibration point to an existing curve
by selecting Add. Then define the level in the case of Standard
or Control Sample (level i) sample type selection.

NOTE: If the sample type is Control sample (level i), and that in the method a
suitability test is defined with the action ‘Modify calibration curve’, all
the calibration points of the defined level will be replaced by the value
of this control sample (level i) in case of suitability test failure.

When the archive calibration curve profile is defined in Galaxie


Configuration Manager (Audit trail / archive calibration curve), it
is possible to reprocess the chromatogram with the ‘unknown’
level either with the Calibration curve used to obtain the results
saved in the chromatogram (eventually old ones) ‘Chromatogram
curve’, or with the last saved calibration curve ‘Current curve’.
Select ‘Unknown’ in the level box, and ‘chromatogram curve’ or
‘current curve’ according to the case.

If the different versions of the curve are not archived, the


chromatograms are always reprocessed with the current curve.

NOTE: If a multi-channels chromatogram has to be reprocessed, repeat the


operation channel by channel, by selecting the corresponding channel in
the ‘Chromatogram’ field. The channel is specified in parenthesis after the
chromatogram name: RUN-1(1), RUN-1(2)…

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The ’Options’ tab:

During the processing of a chromatogram, it is possible to


deactivate certain processing functions. This can be useful in
order to reprocess the chromatogram without printing a report for
example.

When the chromatogram is reprocessed with its method, it is only


possible to deactivate additional options (Export, Post
processing, Print report, and Summary report). It is not possible
to deactivate the Preprocessing, integration, Identification,
Calibration and suitability tests processes.

When the chromatogram is reprocessed with an external method,


the Preprocessing, Integration, Identification, Calibration and
suitability tests parts can come either from that external method
(when the option is checked) or from the chromatogram method
(when the option is unchecked).

It is also possible to deactivate additional options (Export, Post


processing, Print report and Summary report).

When the chromatogram is reprocessed, it is also possible to


keep the manual operations already done on the chromatogram.
To keep the manual operations, uncheck the option Clear
chromatogram manual operations box.

To access these options, choose the option page in the


Reprocessing window.

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If Integration is checked, the integration part of
the External method will be applied to the
chromatogram

If Identification is unchecked, the identification


part of the chromatogram method will be
applied to the chromatogram

If Print report is unchecked, NO report will be


done

Reprocessing Several Acquisitions: The Reprocessing List


To reprocess several chromatograms rapidly, it is possible to
create a reprocessing list.

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Select the menu FILE / NEW / NEW REPROCESSING LIST.
The following screen is displayed:

The user defines the number of lines of the reprocessing list, or if


he wants to import chromatograms from a sequence, he has to
check the second option and to select the sequence name.

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Click on Next, the screen allowing the user to enter a name for
the reprocessing list is displayed:

Enter a name and eventually a comment, and then click on OK.


The corresponding reprocessing list is displayed.

The columns of the reprocessing list are very similar to the


column of the sequence:

In the “chromatogram name” column, select the name of the


chromatogram(s) to be reprocessed: to open several
chromatograms at the same time, press the button of the first
cell of this column. Then select all the chromatograms to be
reprocessed with the combination of the left mouse button and
the Ctrl and Shift keys. If there are more opened chromatograms
than lines in the reprocessing list, lines are added at the end of
the reprocessing list. Note that if selected chromatograms own
several channels, one line is added by channel (by signal).

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In the “chromatogram channel” column, select the
chromatogram channels that should be processed: If the
imported chromatogram owns 3 channels, three lines are added
in the reprocessing list, with respectively the name of the
detector 1, 2 and 3.

In the ‘method name’ column, select the name of the method to


apply. In the ‘method channel’ one, select which channel of the
method should be applied to (if the method is defined for more
than one channel). Note that, when internal standards and/or
user input variables are defined in the method they are imported.
For example if a chromatogram has been processed with the
default calibration method (area percentage), and an internal
standard method, if selected, the name of the internal
standard(s) is imported in the ‘Istd’ column and the internal
standard amount can be entered. Moreover, if a user input
variable ‘A’ is defined in the chromatogram, and that this one is
reprocessed with a method in which the same variable is
defined, its value is kept.

In the ‘Method properties’, choose to apply parts either from the


external method or from the chromatogram method. The
Preprocessing, Integration, Identification, Calibration and
suitability tests parts can come either from that external method
(when the option is checked) or from the chromatogram method
(when the option is unchecked). It is also possible to deactivate
additional options (Export, Post processing, Print report and
Summary report).

It is also possible to keep the manual operations already done on


the chromatogram. To keep the manual operations, uncheck the
option Clear chromatogram manual operations box.

Values of the columns corresponding to variables saved in


chromatograms (M, D, dead time, sample mass, user input,
istd) are automatically imported from chromatograms.
Nevertheless, if loading a method in which others user inputs
and/or istd are defined, the ones of the chromatogram are
deleted. If common variables or istd exist between
chromatogram and method, the chromatogram values are kept.

In the ‘sample type’ column define if the sample is a standard,


an unknown, a blank a control sample or a control sample (level
i).

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In the ‘calibration’ column, define for standard samples only,
whether to keep the previous calibration points (Add), delete all
the previous calibration points (Clear old points), or delete only
those calibration points corresponding to the same calibration
level (Clear level only). For standard samples, select the
‘calibration level’ corresponding to the quantities entered for
those standards in the calibration table.

• NOTE: If the sample type is Control sample (level i), and that in
the method a suitability test is defined with the action ‘Modify calibration
curve’, all the calibration points of the defined level will be replaced by the
value of this control sample (level i) in case of suitability test failure.

In the case of an internal standard calibration method, click on


the ‘Istd values’ cell and press the button, then enter the
values.

Enter the User input variable values in the ‘User input’ column:
click on the cell and press the button, then enter the values.

In the case that the calibration curves are archived (Audit


trail/archive calibration curve), and that quantification has to be
done, the Galaxie Workstation makes it possible to reprocess
chromatograms either with the calibration curve used to obtain
results saved in the chromatogram, or with the last archived
curve. For this, precise in the ‘calibration curve’ column
‘current’ (to use the more recent curve) or ‘chromatogram’ (to
use calibration curve corresponding to the saved results):

Caution: the calibration curve column only appears when the


‘Archive calibration curve’ profile has been defined in Galaxie
Configuration Manager; otherwise the chromatograms are
always reprocessed with the current curve.

To work with bracketing, check the bracketing button (see page


230).

The tool bar proposes the following options:

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This icon clears the content of all the cells of the
reprocessing list
This icon clears the unselected lines of the reprocessing
list
This icon adds a line at the end of the reprocessing list

This icon deletes the selected line.

This icon moves the selected line up.

This icon moves the selected line down.

This icon fills in several cells of the same column


according to the content of the first one. For example,
to fill in the Calibration level’ column, select the cells to
be filled in the column, then fill in the first cell with 1.
Press this icon. A window appears in the workspace to
define the increment between two consecutive cells.
Press OK, and the cells are filled in. If the column
contains a real value or the method, the content of the
first cell is simply copied, then pasted in all others.
Note that it is also possible to copy the content of a cell
by selecting it, then put the mouse cursor to the left side
of the cell, move the cursor down to the last cell the
value must be copied, and select the fill block option in
the popup menu.
This icon permits selected columns to be hidden. Press
this icon, and a window called ‘Columns’ appears.
Unselect the columns to hide then click on OK. Be
careful not to hide cells that must be filled in before the
run.
This icon allows the user to import all the
chromatograms acquired in the same sequence in one
step. The list of all the chromatograms of this sequence
is added to the reprocessing list with the associated
parameters saved in the chromatogram (M, D, dead
time, mass, istd, user input). If bracketing was defined in
the imported sequence, the bracketing is kept. Of
course the imported brackets can be modified
afterwards.

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When the reprocessing list is ready press the start icon to
run the processing. The lines are colored in green when the
corresponding reprocessing has been completed. Once the
entire list has been reprocessed, a message appears stating that
it was “Completed”.

NOTE: If defining “Blank” sample(s) in the sample type column, and use a
method with a chromatogram name defined in the pre processing part,
the blank subtracted will be the one defined in the sample type column.

NOTE: It is possible to open directly a chromatogram belonging to a reprocessing


list by double clicking on its name in the ‘chromatogram name’ column. To
open several chromatograms, select the corresponding lines then choose
the Open chromatogram(s) option from the context menu.

Viewing the Results


The results are saved in the chromatogram file.

To open a chromatogram, select the FILE / OPEN /OPEN


CHROMATOGRAM menu, the icon or press together the
Ctrl and 1 keys. Select the chromatogram name(s) in the Open
file window and press OK.

Integration Results Display on the Chromatogram


When the chromatogram is opened in the Galaxie Workstation,
its name appears in the browser. Click on Data to view the curve.

Chromatogram Scale

Once the curve is displayed in the Galaxie Workstation main


screen, it is possible to magnify some parts of the chromatogram
using the following two possibilities:

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Use the left mouse button: click on the top left hand corner of the
area to be magnified and drag to the bottom right hand corner.
Note that most of the time the width of the peaks should be
emphasized more than their weight, so be careful to draw wide,
but not very high rectangles.

The chromatogram will be displayed in full scale again by


clicking and dragging from any corner except the top left hand
one

Use the popup menu (right click in the curve) options:

ZOOM IN emphasizes the curve and particularly if a zoom in


has already been done, the same will be recovered.

ZOOM OUT minimizes the curve and particularly if a zoom


out has already been done, the same will be recovered.

FULL SCALE returns the curve to full scale.

COPY copies the displayed chromatogram curve in order to


paste it in other applications (Word, Excel, etc.).

PROPERTIES allows access to the properties to modify the


display colors, view, etc.

To modify the chromatogram screen size, position the cursor


between the two sections (chromatogram and method), the
cursor will change to . Click and then move the limits of the
display.

If the cursor is placed on the curve, the coordinates of the cursor


are displayed in the status bar:

The cursor coordinates are shown after the name of the selected
file.

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The Workspace

The plotting of the chromatogram(s) can be modified in the


workspace.

Press the icon to display the workspace.

Select the ‘View’ screen to determine the display mode if several


chromatograms are opened:

The following information will be displayed on each


chromatogram, in the different display modes:

• The X-scale and Y-scale units,


• The chromatogram name with the same color as the
corresponding plot,
• Chromatogram annotations (peak annotations, event
markers, peak markers, baselines…)
The active chromatogram name is surrounded.

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FULL SCREEN: select the corresponding tab in the workspace
screen or choose View / Full screen in the popup menu of the
active chromatogram. In this mode, only the selected
chromatogram is displayed. Click on the chromatogram name in
the browser to display each curve one after the other. Check the
‘Apply the same zoom for all chromatograms’ option to display all
the chromatograms with the same zoom.

OVERLAY: Select the corresponding tab in the workspace


screen or choose View / Overlay in the popup menu of the
active chromatogram

In this mode, the chromatograms are displayed in the same


window. If the chromatograms are acquired on several channels
(several detectors) it is possible to display only the
chromatograms corresponding to the same detector. Select the
required channel in the browser then choose the detector
(channel) in the dropdown list. By default, ALL channels will be
displayed and overlaid.

An X and/or Y offset can also be defined: the first open


chromatogram will be the reference.

STACK: Select the corresponding tab in the workspace screen


or choose View / Stack in the popup menu of the active
chromatogram.

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In this mode, several chromatograms are displayed in separate,
stacked windows. If several chromatograms are opened, select
the ones to stack in the ’Chromatogram to display’ part. All the
chromatograms are displayed by default, but you can also select
the chromatograms to be stacked by choosing the Select option
and pressing the Edit button. The user can also display only a
few chromatograms among the selected ones, by selecting the
number to display in the ‘Show only X selected chromatograms’
option. A scrolling bar appears allowing the user to display the
others selected chromatograms:

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Check the RT Alignment AND/OR Y Alignment so that when
zooming in on a chromatogram, or when moving it with the right
mouse button, all the stacked chromatograms will be moved in
the same way. To realize alignment on a defined chromatogram,
select it in the browser.

If the chromatograms are acquired on several channels (several


detectors) it is possible to overlay all the channels of the same
chromatogram (‘BY FILE’ option) or all the chromatograms
corresponding to the same channel (‘BY CHANNEL INDEX or
CHANNEL NAME’ option), in the same view. ALL channels are
stacked by default (no overlay): it corresponds to the ‘NONE’
option.

COMPARISON: select the corresponding tab in the workspace


screen or choose View / Comparison in the popup menu of the
active chromatogram.

In this mode, only two chromatograms are stacked: the first one
corresponds to the reference. If more than two chromatograms
are opened, select the chromatogram to compare with the
reference in the browser; it will be displayed in the second
position, after the reference.

Check the RT Alignment AND/OR Y Alignment so that when


zooming in on a chromatogram, or when moving it with the right
mouse button, both chromatograms will be moved in the same
way. To realize alignment on a defined chromatogram, select it
in the browser.

Check the Mirror effect option to invert the chromatogram to be


compared with the reference (rotation through an angle of 180°).

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3D: select the corresponding tab in the workspace screen or
choose View / 3D in the popup menu of the active
chromatogram.

In this mode, all the chromatograms are overlaid and can be


shifted on a third axis: keep pressed the right mouse button to
define the Z-axis orientation.

Select the ‘Workscale’ tab to zoom on peaks or define manual


zooms:

Select Find Region from the drop-down list to define manual


zooms, then the limits in the Y and RT from -- to -- edit boxes
can be defined. Press the Set current zoom button to apply these
limits to the chromatogram. Press the Get current zoom button to

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fill the edit boxes with chromatogram limits if the chromatogram
was sized manually using the zoom in functions.

Use the scroll bars to zoom in the chromatogram: it is possible to


reduce or increase the size of a bar by clicking one of its edges
and dragging it. It is also possible to move them by clicking on
their center and dragging them.

Select Find Peak from the drop-down list to zoom in on a peak:


select the peak to be zoomed according to its name, index, area
or height. Enter the corresponding name, index, area or height
(for example ‘highest peak’) and then press the Search button to
display the peak.

When a peak has been emphasized, use the Next and Previous
buttons to view the other peaks.

These page options can also be used to modify the working


scale. The full scale is the maximum scale up permitted for
zooming out. For example, if the chromatogram is composed of
a huge solvent peak and many very small peaks, a full view of
the solvent peak is not necessary therefore a scale to emphasize
the small peaks should be defined. To set the working scale,
zoom in on the chromatogram and press Save workscale.

If the working scale is not correct, press Initialize workscale to


reset the working scale to the chromatogram acquisition scale.

NOTE: A scale defined with a manual zoom, in the WORKSCALE tab, is


temporary, and is not saved in the chromatogram file when it is closed,
whereas those defined and saved with the Save as workscale button will
be saved in the chromatogram file.

Select the ‘Print’ tab to print the results of selected


chromatograms in the same report. The following screen is
displayed:

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Select the report style to apply (previously built in Galaxie Report
Editor). Then select the objects to duplicate by chromatogram
(one for each channel of each chromatogram). Chromatograms
are printed as displayed at screen.

Results Displayed in the Chromatogram

• The markers: The peak start and end are displayed with
markers which can be customized. The default displayed
symbols are:

symbolizes a peak start marker.

The time of the start marker is the value of the peak variable
called ‘Start’.

symbolizes a peak end marker.

The time of the end marker is the value of the peak variable
called ‘End’.

symbolizes a valley marker. This is a marker that indicates the


end of a peak and the beginning of another one.

symbolizes a baseline end marker.

NOTE: It is possible to select the symbol, color and markers size (Refer to page
149).

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• The event annotations

The events annotations display the integration events on the


graph at the specified time.

It is possible to display or hide the integration events on the


screen:

Press this button (Chromatogram annotation toolbar) to hide


or show the event annotations.

Press this button (Chromatogram annotation toolbar) to hide


or show the event markers.

Press this button (Display toolbar) to modify the display of


event annotations. The displayed screen is divided into two
sections: Content and Options

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NOTE: Those screens are also available from the Format / Chromatogram format
part of the method, by selecting the Event annotations / Edit option.

In the Content tab, it is possible to modify the font and the


background of the event annotations. The event description
can be displayed as a code (DNP On, will be displayed for
Detect Negative Peaks On) by checking the ‘Short
description’ option, or entirely by unchecking it. If Show
retention time is checked in the Content page, the time
when the event annotation is set is displayed in the event
annotation. For example: “1.25 DNP On” will be displayed if
the Detect Negative Peaks On event was required at 1.25
minutes. Otherwise, only ‘DNP On’ will be displayed

In the Options tab, define the Orientation of the annotations


(Vertical, Oblique or Horizontal), the link parameters (line
linking the chromatogram baseline to the event description)
and eventually a frame.

NOTE: To modify the event marker symbols, select the Properties option in the
chromatogram context menu (or the Format / Chromatogram format part of
the method) and select the Event markers / Customize button.

• Peak annotation

Peak annotation displays information above each peak of the


chromatogram. All the peak variables can be displayed.

Press this button (Peak annotation toolbar) to hide or show


peak annotation.

Press this button (Display toolbar) to modify the display of


peak annotation. The displayed screen is divided into two
sections: Content and Options.

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NOTE: Those screens are also available from the Format / Chromatogram format
part of the method, by selecting the Peak annotations / Edit option.

In the Peak annotation window, the peak annotation display can


be modified. The background color can be modified or removed.
The font or orientation may also be changed.

In the Content tab, it is possible to modify the font and the


background of the peak annotations. The content of the identified
peak annotations can be changed and any variable defined in
the variable editor (system peak variables, peak user input or
peak user formula) can be displayed. To display a customized
variable, grouping for example two or more variables, define a
new peak user formula variable

If the annotation is too long, the user can define the number of
characters to be displayed in the Max length field.

By default, no annotation is defined for unknown (non-identified)


peaks. To annotate them check the ‘Annotate unknown peaks’

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option, and enter the label, or choose the required variable in the
drop down list.

In the Options tab, define the Orientation of the annotations


(Vertical, Oblique or Horizontal), the link parameters (line linking
the chromatogram baseline to the event description) and
eventually a frame.

NOTE: To modify the event marker symbols, select the Properties option in the
chromatogram context menu (or the Format / Chromatogram format part of
the method) and select the Peak markers / Customize button.

Viewing the Peak and Group Result Tables

The Result Tables

The results are displayed in a peak table and a group table. To


view the results, click in the browser on the result section of the
chromatogram channel to display.

• The Peak Table

Select the peak report item in the browser, and the peak table is
displayed in the right panel.

Each line of the table represents a peak. When a line is selected,


it is highlighted in yellow. The first and last peak markers of the
corresponding peak are also highlighted in yellow in the graph.

The heading of the table columns is composed of the name and


the unit of the variable. The name, the unit and the format of the
variable can be modified in the variable screen. To access it,
display the context menu of the desired column of the Result
table and select the Edit variable X option.

At the bottom of the table, a line labeled Total is displayed in


blue. The sums for all the peaks of the variables for which the
total sum was required in the variable screen are displayed. The
total area, height, area and height percentages, and quantities
are calculated by default.

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NOTE: The Galaxie Workstation can list the missing peaks in the result table, by
indicating their name and theoretical retention times. The corresponding
option has to be configured in the peak report format.

NOTE: The Galaxie Workstation displays areas only with positive values, i.e. if
negative peaks are integrated their areas will still be positive values. To
display the sign, add a column for the variable 'ISPOS' in the results table,
if true is displayed the area is positive and if false is displayed the area is
negative, or use the PEAKSIGN variable of the additional variables
repository

The Popup Menu

In the peak table, press the right mouse button, and a popup
menu appears.
Choose ZOOM PEAK in this popup menu, and the selected
peak will be highlighted in the chromatogram.
Choose COPY, and the peak table will be copied to the
clipboard. Open any application (Excel is recommended),
and use the local ‘Paste’ function to paste the peak report
table into the application.
Choose DELETE CURRENT PEAK, and the currently
selected peak is deleted (see also ‘Manual integration’).
Choose REPORT PROPERTIES to select the columns
displayed in the table and modify their order.
Choose EDIT VARIABLE: XXX (in the column XXX), to edit
the variable XXX and modify its format, its user name, etc.

• The Group Table

Select the group report item in the browser, and the group table
is displayed on the right panel.

Each line of the table represents a group. When a line is


selected, it is highlighted in yellow.

The table column heading consists of the name and the unit for
the variable. The name, the unit and the variable format can be
modified in the variable screen. To access it, display the context

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menu of the desired column of the Group Result table and select
the Edit variable X option.

At the bottom of the table, a line labeled Total is displayed in


blue. The sums for all the groups of the variables for which the
sum total was required in the variable screen are displayed. The
total area, height, area and height percentages, and quantities
are calculated by default.

In the group table, press the right mouse button and a popup
menu appears.

Choose COPY, and the group table will be copied into the
clipboard. Open any application (Excel is recommended),
and use the local ‘Paste’ function to paste the peak report
table into the application.

Choose REPORT PROPERTIES to select the columns


displayed in the table and modify their order.

Choose EDIT VARIABLE: XXX (in the column XXX), to edit


the variable XXX and modify its format, its user name, etc.

NOTE: As for the peak and group result tables, the integration events, the
chromatogram variable list, the calibration table, the identification peak and
group tables can be copied and then pasted in Excel for example. Press
the right mouse button in the corresponding table and select COPY in the
popup menu.

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Chromatogram Properties

To access chromatogram properties, first open a chromatogram


and then select the DATA / CHROMATOGRAM PROPERTIES

menu or the icon or press the F2 key. A three tab screen is


displayed:

The Main information tab contains:

Chromatogram information: captured during chromatogram


creation (either in the Quick Start screen or in the corresponding
column of the sequence).

Sample properties: sample mass (mandatory if the result is


expressed in mass% or mass ratio), divisor and multiplier (used
in the quantification calculation), internal standard(s)
quantity(ies), mandatory if the internal standard calibration type
is selected, Specific channel parameters (except in the case of a
system with one injector and one detector).

Column parameters: dead time (used for the selectivity and


capacity factor calculation).

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Acquisition parameters: vial and rack numbers, injection
volume.

All fields except the acquisition parameters can be modified after


the acquisition.

NOTE: When ‘Specific channel parameters’ is selected, user can select the
channel number, and enter values for each channel.

The Signal information tab brings together acquisition


parameters: acquisition rate, run time and points number. These
data are available by channel.

The Variables tab displays the value of system variables,


calculated automatically for each chromatogram plus those of
the global user input variables (see page 198). User input
variables are displayed on a yellow background, the user can
modify the values from this screen.

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NOTE: It is possible to modify the format (number of significant digits, scientific
format) of the following variables from this screen:

• ‘Main information’ tab: every variable of the ‘Sample


Properties’ part and the internal standard(s) quantity(ies).

• ‘Signal Information’ tab: ‘Run time’ variable

Put the mouse cursor on the variable box, click on the right
button, and in the popup menu select the Edit Variable XXX
function, where XXX represents the variable name. The Variable
Editor screen is displayed, allowing the change of selected
variable format.

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The Peak Properties

Click on to display the peak properties.

The peak properties provide an overview of the peak


characteristics. Use the and arrows to scroll through the
peaks.

The name of the peak is displayed as the window title. Press any
of the options to view them for the selected peak. On the right of
the screen, the area and height percentages of the peak are
represented.

Of course, it is possible to emphasize or reduce the window size,


to zoom in and out (using clicks and drags and the popup menu)
within the graphics to view the details.

Click on the bar at the bottom of the screen to show or hide the
options:

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Printing the Results
A report can be printed automatically at the end of the
acquisition. In the section of the method concerning the printed
report, select a report style and the number of copies to be
printed. To select a style, press the open button and choose
the name of the style that will be used.

The report styles are created in Galaxie Report Editor, the report
creator. Select the FILE / NEW / NEW REPORT STYLE menu
and refer to the Galaxie Report Editor User’s Guide or help file to
create a report style.

To print a report manually, select the chromatogram to be


printed, and press the Print icon or select the FILE / PRINT
menu. A report will be printed for the chromatogram using the
report style selected in the method. It is also possible to preview
the report before printing using the FILE / PREVIEW menu or the
Print preview icon.

If the chromatogram is not saved (displayed file different from the


saved one), DATA NOT SAVED is written on the back of the
report.

NOTE: The Printer Popup message can be disabled as follows:

Start the Registry editor, and change HEYK_LOCAL_MACHINE\


SYSTEM\ CurrentControlSet\ Control\ Print\ Providers and set the entry
NetPopup to 0. You should then reboot Windows (however stopping and
restarting the print spooler will be sufficient). If the printer is on an NT
server, then this setting needs to be set on the Server that controls the
printed queue.

This can also be done from the Printers Control applet: Start the Printer
control applet (Start - Settings - Printers); select "Server Properties" from
the File menu then select the Advanced tab, uncheck the "Notify when
remote documents are printed". Click OK and reboot the computer.

Summary Report
The summary report provides the capability to monitor result(s)
over a user-defined time interval.

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The summary report is similar to the reports created in the
Galaxie Report Editor. First, define a report style that determines
what will be printed or edited and how this will be done.

Defining the Summary Report Format:


Select the FILE / NEW / NEW SUMMARY REPORT menu to
access the Galaxie Workstation Summary Editor.

Processing

Select the processing tab:

On this page, select the type of chromatograms to be added


automatically in the summary report and the type of statistics to
be displayed.

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A choice between adding All the chromatograms, only the
Sample chromatograms, all the Standard chromatograms or
only the Standards of a specific level (the level of the standard
samples that should be added must be specified) is proposed.
These features allow you to filter the chromatograms to add in
the summary report, when a large number of chromatograms are
automatically sent.

It is possible to use only the X last added chromatograms to


perform calculation, by checking the Enable the X last
chromatogram(s) option where X is the desired chromatogram
number.

The summary report generated consists in part of graphs and


tables tracing the evolution of the variable(s). It is possible to
define the variable number to display by graph/table, in the Show
X variable(s) by table option.

Then define in the statistics section the calculation to realize

Sample number: the number of chromatograms that have


been added to the summary.

Mean: the mean value of the variables in the


chromatograms. Note that if the variable is not calculated in
a chromatogram, the mean value is not considered (i.e. its
value is not considered to be zero).

Standard deviation: the standard deviation around the


mean value is calculated as follows:

s x = Vx =
∑ (x i − x)2
if the “standard deviation
n
calculated with N population” option is checked,

s x = Vx =
∑ (x i − x) 2
if the option is unchecked.
n -1

2 (∑ (x i ) )
2
∑ (x i − x i ) 2
= ∑ (x i )−
n
Note:
x = value of the variable in a chromatogram

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x = mean value of the variable for all the chromatograms
n = point number

Residual standard deviation percentage: it is the standard


deviation around the mean value divided by the mean value and
multiplied by 100:

s
RSD = 100 × x
x

Variables

Select the Variables tab. The following screen is displayed:

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Choose the variables that will be added to the report. As the
variables are defined in the method (custom variables and peak
and group names), it is necessary to define a method name:
Press the open ( ) icon and, in the Open file window, select
the method corresponding to the type of sample to be added.
This method contains the user-defined variables, as well as the
names of the peaks (important if viewing a peak variable) and
the format of the variables.

If the selected method contains several channels, user must


specify in the following screen the channel of interest (only the
variables and the peak names defined for this channel can be
selected for the current summary report).

Then, in the variable list, press the left mouse button. Choose
the ADD VARIABLE option. A window called ‘Add variable’
appears:

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In this screen, select a variable to be added to the summary
report. If the variable is a peak or a group variable, it is
necessary to specify the peak(s) or group(s) concerned:

First select the name of the variable in the list, by double clicking
on it or by using the arrow button. Then select the peaks
concerned in the peak selection screen. By default all the
existing peaks or groups are selected, the user can unselect
some of them by unchecking the corresponding check box, or
unselect or select all in a single action, thanks the contextual
menu.

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Then validate by OK.

It is possible to define validity limits for variables added in the


summary report. For that, select the variable in the ABC
Variables screen, and press the button. The
following screen is displayed:

Check Enable Warning & Control to define limits for this variable.
There are two kinds of limits: warning limits and control limits.

• Warning limits are defined to advise that some problems


could occur.

• Control limits are limits that should never be overstepped.

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Warning limits can be defined as: a Fixed range, user has to
define Lower and Higher limit, or as a Relative range in
comparison of value, a variable or a variable mean.

Then define the conditions of the test:

• X succeeding values are outside the warning limits

• X values within Y succeeding values are outside the warning


limits)

User can define a Warning evolution:

• X succeeding values imply the same slope side

• X succeeding values are one side of the average

Control limits are defined in the same way as Warning limits,


the same options are proposed.

Check the box Enable RSD% control with this maximum value
and enter a value for the max %RSD.

When that option is chosen and when the %RSD is computed


(see page Error! Bookmark not defined.), the software
compares the %RSD computed for the variable to the max
%RSD. A new warning is generated when the computed RSD is
greater than the Max RSD%.

When the warning and control are clearly defined, define the
action to perform in the case or the test fails, among the four
proposed:

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Print a report, Show message (to define in the corresponding
field), Export a report or in the case or the processed
chromatogram is just acquired via a sequence, Stop running
sequence.

It is possible to execute several tests on the same variable. For


that, click on the button. A new tab is added to
allow the user to define the new test conditions. You also can
delete a test by activated the button.

When all tests are written for the selected variable, press OK.
You can then select another variable and define tests.

If several variables are listed in the ABC Variable tab, you can

sort them by using the up and down buttons: and , it can,


be useful to group all the variable of same type in the same
result graphic.

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Report

Select the Print tab and choose what should be printed and
when the report should be printed.

First, enter a report header. This header will be printed at the top
of the first page of the report.

In the Report options zone, choose what should be printed:

Comments: the comments entered in the bottom of this screen,

Tables: to print the tables containing the variable values for each
chromatogram,

Curves: the graphical evolution of the values,

Chromatogram list: the list of the chromatograms with their

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acquisition date,

Event log: the summary of all the processes done in the


summary,

Warnings: the warning if some variable exceeds the limits


defined in the Add variable screen,

Variable list: the list of the selected variables

Section titles: titles for all the previously selected items.

Then, in the ‘Print report’ zone, choose when the report should
be printed:

At the end of every sequence or reprocessing list; after every


chromatogram generating a warning (warnings are defined for
each variable in the page Validation of the window where the
variables are added); at the end of every single acquisition
(launched with the Quick Start).

NOTE: Report can also be printed after a warning or a control exceeding, but the
print action is then defined in the variable’s warning and control screen.

Note that if several summary reports are defined in different lines


of the sequence or of the reprocessing list and that you have
selected ’Sequence completed’ or ‘Repro.list completed’; only
the summaries defined in the last line of the sequence or of the
reprocessing list will be printed. Moreover to print automatically a
summary report after reprocessing , select the option
‘Repro.list completed’.

NOTE: An index is associated to each chromatogram name, and this index is


displayed in the array giving the statistical results instead of the entire
name:

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Export
Summary report can be automatically exported. Select the export
tab.

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In the Export File field, select the export file format (Excel,
Word…), and specify data path and file name.

In the Export Title field, define a file name which will be


displayed in the exported summary report.

In the Export options part, select which part of the report should
be exported.

In the Export report part, define when the report should be


exported: at the end of the sequence, the acquisition or the
reprocessing list.

Once export options have been set, save the summary.

Summary reports can be manually exported according to what

has been defined in the "Export" tab. Click on to export the


summary.

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How to Add Chromatograms in the Summary Report

Inside the Summary Editor

To add chromatograms in the summary editor, select the FILE /


OPEN / OPEN SUMMARY REPORT menu. In the Open file
window, select the summary report to which chromatograms will
be added. The summary report is opened in the Galaxie
Workstation summary editor.

In the summary editor, press the right mouse button inside the
panel called ‘Chromatograms to summarize’. Of course, if some
chromatograms have already been added to the summary, they
are listed in this zone. In the popup menu, choose ADD
CHROMATOGRAM. It is also possible to use the main menu
and select EDIT / ADD CHROMATOGRAM. Select the
chromatograms and the channel to summarize in the Open file
window and press OK.

The chromatograms are added to the summary, press the


Results mode button to view the statistical results.

Automatically

A chromatogram can be added automatically during processing


in the Galaxie Workstation, after a single acquisition, after an
acquisition in a sequence, or after the reprocessing of the
chromatogram. In the method used to process the
chromatogram, select the name of the summary report to which
it should be added.

Note: It is possible to choose to add only a few chromatograms


processed with the same method (in which a summary report is
defined) in the summary report. If a chromatogram is processed
and does not need to be added to the summary, uncheck the
summary report options in the Processing page.

Chromatograms Management in the Summary Report:


In the Summary Report, there is a list of the chromatograms that
have been summarized (added to the summary).

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These chromatograms are annotated:
This symbol means that the variable is found in the
chromatogram.

This symbol means that a variable is missing in the


chromatogram.
This symbol means that the chromatogram has not
been found.
Additional information about the chromatogram is available by
selecting CHROMATOGRAM STATUS from the popup menu
(right mouse button click) of the chromatogram list.

The popup menu helps to manage the chromatogram list. Most


options are also available in the EDIT menu:

• Add chromatogram: Use this menu to manually add


chromatograms to the summary report.

• Delete chromatogram: Use this option to remove the


chromatogram from the summary report.

• Delete all: Use this option to remove all the chromatograms


from the summary report.

• Chromatogram status: View the information about the


chromatogram.

It is possible to deactivate a chromatogram for a period: its


results will not be considered in the statistics. Uncheck the cell in
the ‘A’ column: check it again to reactivate it.

Editing the Summary Report Results

To view the summary results, press the Results Mode icon.

The tables summarizing the variable values are displayed with


the corresponding graphs. To customize the X axis format, select
the icon, the following screen is displayed:

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By default the chromatogram number is displayed on the X axis
of the graph, but the user can choose to display acquisition time
and configure the time format to display.

To print the report, press the Print report icon: . A preview of


the report is displayed, then press the Print button.

Copying the Results

Any graph within the Galaxie Workstation can be copied and


pasted into another application (Word, Excel…). It is therefore
possible to copy the chromatogram along with the markers and
the baseline. Press the right mouse button within the graphic,
then selecting COPY from the popup menu.

The Chromatogram curves section displaying the selected


chromatograms can be modified by the user: It is possible to
zoom in on the graphs by pressing the left mouse button in the
top left-hand corner of the area to magnify and keeping it
pressed until the bottom right-hand corner is reached.

• Access the popup menu by right clicking with the mouse within
the graph area. The following options are proposed:

Full scale: Returns graph to full scale.

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Zoom in: Returns graph to the previous zoom in.

Zoom out: Returns graph to the previous zoom out.

Copy: Copies the curve view on the screen (to paste it to


other applications).

Properties: Accesses the curve properties to modify its


display.

To modify the curve size, place the cursor between two panels
(for example, the chromatogram and its associated method). The
cursor appearance is changed to: , click and drag the curve
limits to move them up or down.

Importing a Chromatogram (AIA format)


To import a chromatogram, copy it to the working folder and
open it with the open file window as a chromatogram acquired
with the Galaxie Workstation.

The chromatograms available in an AIA format are displayed as


the Galaxie Workstation chromatograms in the open file window,
except that their extension is .cdf instead of .data. They also
contain no information or preview, and the control and
acquisition sections of the method are missing.

When an imported chromatogram is opened in the Galaxie


Workstation, it is displayed with the Galaxie Workstation
integration and the results are calculated according to the
Galaxie Workstation integration events. The peak identification
parameters are not kept. Some variables concerning the
acquisition are also imported: acquisition date, channel number,
chromatogram name, operator name, etc.

When the chromatogram is saved in the Galaxie Workstation


format: a .DATA file is created.

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Audit Trail
The audit trail is a function available only for chromatogram and
calibration curve, used to trace the last processing actions made
on a chromatogram and to archive all versions of a calibration
curve, The audit trail describes all the changes made, specifies
the name of the user that made the change, and when the
change was made.

The calibration curve audit trail is tracked only if the


corresponding profile is associated to the connected user
(Galaxie Configuration Manager). To view the audit trail of a
chromatogram or of a calibration curve, open it, then select
the DISPLAY / AUDIT TRAIL menu, the AUDIT TRAIL popup

menu or press the icon.

In the case of a chromatogram, the following screen is displayed:

Two lines are listed, the first one corresponds to the


chromatogram creation, and the second one to the last saved
action.

Select the second line and click on the, The Event Log button
displays the detail of the last processing.

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For a calibration curve, the following screen is displayed:

The button allows the user to clear the archives


for the file. When this action is achieved a line appears in the
audit trail, mentioning the operation.

The button allows you to extract an archived


calibration curve, that means overlay the current one.

The button allows you to save an archive (after


highlighting it) under another name as to not overwrite the
current one.

: this button allows you to quit the Audit Trail.

: this button allows you to copy the Audit Trail to


another application.

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: this button allows you to view the audit trail report
before printing.

: this button allows you to reach the “On line help”


(Internet Explorer has to be installed on the computer).

How to Compare Two Chromatograms


The Galaxie Workstation allows you to quickly compare two
chromatograms. The chromatograms to be compared need not
necessarily to be opened.

Select the DATA / CHROMATOGRAM DIFFERENCES menu,


the following screen appears.

The two chromatograms to be compared are defined in the two


sections of the screen.

If a chromatogram is opened and selected, its name is displayed


by default in the “Open chromatogram” box. To compare a non-
opened chromatogram, select its name in the “Chromatogram
file” field. Define the channel to be compared in the
corresponding field.

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Once both chromatograms to be compared are defined, click on
the Compare button, the differences are then displayed.
Differences only are listed if the “Show only differences” option is
checked, or detailed if not. Only the differences for the
chromatogram method are displayed:

User can print the differences by clicking on the


button, then on the button in the preview screen. He can also
copy the differences to paste them in another application.

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Advanced Parameters

This section concerns very particular applications used to


answer to specific user needs, and are not defined by default
during the software installation.

Column Ageing
The Galaxie Workstation contains an option enabling the user to
simulate the ageing of a chromatographic column, by modifying
automatically the theoretical peak and groups retention times, as
well as the integration event times in the method after an
acquisition.

To activate this option, the user must be assigned a profile


(Galaxie Configuration Manager) containing the ‘Column
Ageing’ option in the ‘Method’ directory.

An added part, named ‘Column Ageing’ appears in the


acquisition part of the method:

The user checks the “Activate column Ageing” box to activate the
function and enters in the Ratio box the shift percentage to apply
during the new retention time calculation of peaks and groups
and integration event time (details of the calculation are
described in this section).

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‘Column Ageing’ is applied from one acquisition to another, that
means that at the end of an acquisition with this option, the
method is automatically modified, and new parameters will be
used for the next acquisition with this method.

Column Ageing is applied only during acquisitions (Quick


Start and sequence). If a chromatogram is reprocessed via the
‘Integrate’ (F5), ‘Reprocess’ (F6) function or via a reprocessing
list, no change in the peak and group identification and in the
integration event tables is made in the method.

Once the chromatogram has been acquired, the ‘Column ageing’


part of its method is no longer accessible, so it cannot be
modified.

To apply calculation of ‘Column Ageing’ the user is required to


define reference peaks in the peak identification table. If no
reference peak is defined, or if at least one of the reference
peaks defined is not found in the chromatogram, the
‘Column Ageing’ calculations will not be done.

Calculation details:

For all the peaks defined in the identification table and


present in the chromatogram, the time limit of groups and the
integration events times, the following calculation is applied:

RT' ID = K% × RT + (1 − K%) × RTID

where:

Identified peaks:

RT’ID represents the theoretical peak retention time calculated


according to the ‘Column ageing’ function, and displayed in the
peak identification table of the updated method (after
acquisition).

RT represents the real retention time of the present peak,


displayed in the identification table, or the interpolated
retention time of missing peak according to the reference
peak shift (see above equation).

K% represents the ageing percentage. It is the ratio value


entered in the acquisition part of the method.

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RTID represents the theoretical retention time of the peak defined
in the peak identification table of the acquisition method.

Integration events:

RT’ID represents the time of the integration events calculated


according to Column Ageing function, displayed in the
integration part of the updated method (after acquisition).

RT represents the integration event times interpolated


according to the reference peak shift (see above equation).

K% represents the ageing percentage. It is the ratio value


entered in the acquisition part of the method.

RTID represents the integration event times defined in the


integration part of the acquisition method.

Groups:

RT’ID represents the calculated group time limits according to


column ageing function, displayed in the group identification
table of the updated method (after acquisition).

RT represents the interpolated limit time of groups according


to the reference peak shift (see above equation).

K% represents the ageing percentage. It is the ratio value


entered in the acquisition part of the method.

RTID represents the theoretical time limits of groups defined in


the group identification table of the acquisition method.

The RT time used for integration events time, group time


limits and retention time of peak defined in the identification
table but missing from the chromatogram is interpolated
according to the reference peak shift. Here is the used equation:

RT2 − RT1
RT = RT1 + (RTID − RTID1 ) ×
RTID2 − RTID1
where:

RT is the time used in the column ageing formula.

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RT1 is the retention time of the previous reference peak.

RT2 is the retention time of the next reference peak.


RTID is the theoretical retention time of non reference
peaks (defined in the identification table), or the
integration event time, or the time limits of groups.

RTID1 is the theoretical retention time of the previous


reference peak, defined in the identification table.

RTID2 is the theoretical retention time of the next reference


peak, defined in the identification table.

NOTE: If peaks are eluted before the first reference peak, RT1=RTID1= 0 and the
index 2 is attributed to the next reference peak.

RTID
RT = RT 2 ×
RTID2

If a peak is eluted after the last reference peak, RT1 and RT2 represent
the retention time of two reference peaks eluted before the peak of
interest.

.
A file is automatically generated after the first acquisition made with a
method using ‘Column Ageing’ function, in which the changes of times
(peak RT, groups time limits and integration event times) are listed.
This file is updated after each acquisition made with the same
method. It is generated in the project directory containing the method,
and is named the same as the method it comes from with the
METH_CA extension. This file is readable as a text file.

External Sequence
The aim of the ‘external sequence’ is to start a sequence on
any workstation declared in the domain of work (in the Galaxie
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Configuration Manager), and to close the Galaxie Workstation
session on this workstation while the sequence is running. It is
also possible to disconnect from Windows session without
stopping the external sequence.

Configuration
The ‘External Sequence’ runs as a service of the
chromatographic system and the Galaxie Chromatography Data
System server. One service is created for each system and is
named “External Sequence Engine-Systemname” (Systemname
represents the name of the system). Under Windows 2000 or
XP, the services are accessible from the START / CONTROL
PANEL /ADMINISTRATOR TOOLS / SERVICES menu.

At each start of an external sequence, the corresponding


service is automatically started, and is automatically
stopped at the end of the sequence.

The “External Sequence” is associated to a “Sequence Engine


Host” that is the name of the computer.

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Configuration of the Sequence Engine Host:

The sequence Engine Host is declared in the Galaxie


Configuration Manager in the system object:

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How to Use the External Sequence

Connection and Main Screen

The External Sequence software is opened from Galaxie


Workstation Acquisition Menu.

NOTE The User must have a profile allowing him to start the Remote Sequence
Manager (Galaxie Configuration Manager\ profile\Acquisition part).

First the logon box is displayed:

After entering a user name, the user can choose the


project/group on which he wants to work and validate. The main
screen is displayed:

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This screen contains three menus:

• File menu: allows the user to create, open, save, close


a sequence, or quit the external sequence.

• Session menu: allows the user to change the Session


(New login) or to view properties:

• Remote menu: allows access to the Queue status


option, which lists all the acquisitions completed and
their state. This also allows access to ‘System log’
option, listing the errors that may have occurred during
the acquisition, or mentioning a communication problem
with Star 800 MIB box (if one connected), or with the
chromatographic system or other problem.
A Toolbar:

Open sequence, save sequence, close sequence.


A task bar:

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Sequence name user/group/project Sequence name by User State

The sequence name content is displayed on a green


background if the sequence displayed has been saved, or in red
if changes to the sequence were not saved.
The second case indicates the logon user/group/project.
The Submit case indicates that the current sequence was
initiated by ‘user’. It has a green background if the current logon
is the logon of the user who initiated it, and is red if it initiated by
another user. Note that if several external sequences are opened
with the first logon, only the first external sequence opened has a
green background.
The state case shows the sequence state: starting, stopping.

Running a Sequence

The sequence is the same as the sequence in the Galaxie


Workstation: same grid, same functions. The user should consult
the Galaxie Workstation User’s Guide for more information.

External sequence: rules of work

• When a user starts a sequence, he becomes the


“Owner” of this sequence. That gives him all the rights
to (modify pause, stop, and reset the sequence). Note
that changes are only possible when activating the
pause button, otherwise the save function is not
accessible.

The sequence is displayed as shown in the following picture:

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The Submit field of the task bar is displayed on a green
background to remind the user that he started the sequence
and that he is its owner.

• If another user connects on another workstation and


opens the same sequence, he will only have viewing
rights. The submit field of the task bar will have a red
background, indicating that this user is not the owner of
the sequence and that he has no rights. The stop,
pause, reset, start buttons are not accessible to this
user. If he makes some changes in the sequence (adds
lines for example), these changes will not be taken into
account since he is not the owner of the sequence.

Nevertheless a “Non-Owner user” can have rights to change and


to save the sequence, if the original owner closes the sequence.
However, the non-owner, cannot stop the sequence, restart or
reset it.

Note that if a non-owner user of a sequence has the ‘Stop any


running acquisition’ profile (declared in the Galaxie
Configuration Manager), he has the full rights (stop, start, save,
reset) once the owner has closed the external sequence screen.

Report Printing

The report printing is managed by the workstation on which the


external sequence is started. This means that the default printer
defined for the Windows user (connected to workstation) will be
used for all printing in the sequence. If another user connects to
this workstation and the printer associated to his Windows profile
is different, reports will be printed on his printer (even if he has
not opened the external sequence).

The Windows profile of the user connected to the workstation


defines the printer.

To print reports, the workstation must always be connected


under a Windows session. If no user is connected on
Windows session, acquisitions will be performed, but no
printing will be done.

NOTE: To change Windows log-on, select the “Close all programs and log on as
a different user” option in the start menu to avoid stopping the computer.

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Retention Index
The Galaxie Workstation has an option enabling retention
indices calculation. Retention index is defined by reference to
two standards of homologous series, whose peaks bracket the
compound of interest. Calculation is based on Kovat’s principle
(for alkanes with isothermal temperature) extended to other
chemical series (alkenes, ester…) and temperature programs.

Reference compounds can be either analyzed simultaneously to


unknown compounds, or separately, provided that analytical
conditions remain identical.

This option allows identification not only with retention time, but
also with retention indices.

Configuration
To activate this option, the user must be assigned a Galaxie
Configuration Manager profile. Check the "Edit peak
identification parameters" and "Retention index" options in
the "Method" subdirectory.

Two options are then available in the "Peak identification" part of


the method: "Retention index" and "Identification using
index".

Check the "Retention index" box to use the retention index


option.

• A column appears in the identification table: Ret.index. It


allows the user to enter retention indices in the peak
identification table.
• A new menu retention index appears in the main toolbar.
• The option "Identification using indices" becomes active.
If it is checked, two additional columns appear in the
identification table: Abs window (ret.ind), Window %
(ret.ind) and Abs window (min) and Window % columns
disappear.

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Reference Table Building
To calculate retention indices in an unknown chromatogram, a
"Reference table" must be created. In a homologous series of
chemical compounds, this table links retention time to retention
index.

A reference table consists of two parts:

• Analytical conditions of chromatogram acquisition.


• Reference identification table, which lists homologous
series information (retention time, retention index,
identification window…).

Reference Analytical Conditions

Retention index calculation can only be done between


chromatograms whose analytical conditions are identical. So,
reference analytical conditions must be created.

Open a method.

In the peak identification table, check "Retention index" option


and possibly the "Identification using index" one.

Select the Retention index-Analytical conditions menu.

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The following screen appears:

Inj mode: select the injection mode among: Split, Splitless, PTV,
SPME or Others

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Comments: enter comments if necessary

Temperature mode: select temperature conditions of the


acquisition. Three temperature modes are available:

- Isotherm: enter the temperature.

- Temp. program: enter initial and final temperature and the


rate. Only one rate is allowed.

- Mixed: a rate can only be followed by an isothermal level.


Enter temperature, rate, initial, and final program time.

Dead time: the column dead time is imported from the


acquisition part of the method, it is impossible to enter this data
manually.

Column name: enter column name.

Reference table information: to specify reference compounds.

- First carbon: carbon number of the first reference


compound.

- Last carbon: carbon number of the last reference


compound.

- Homologous series: name of homologous series.

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NOTE: If the last carbon number is less than the first, it appears on a red
background to inform user of the inconsistency.

Save the method when all fields have been filled,

Reference Identification Table

When reference analytical conditions have been defined in the


method, reference chromatogram (chromatogram containing the
peaks of interest of the homologous series) can be either
reprocessed (F6) or acquired with this method.

Then reference peak identification table can be built.

Peaks can be identified according to their retention time or their


retention index.

If the Retention index option is checked and identification using


index is unchecked, peaks are identified according to their
retention time.

The following identification table appears:

Peak name: compound name

RT: theoretical retention time of the compound

Ret. Index: theoretical retention index of the compound

Abs window (min): absolute identification window in minutes


(according to retention time)

Window %: relative identification window in % (according to


retention time)

Cal: check this box if the compound must be used for calibration.

Mode: identification mode

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If the Retention index AND Identification using index options are
checked, peaks are identified according to their retention index:

The following identification table appears:

Peak name: compound name

RT: theoretical retention time of the compound

Ret. Index: theoretical retention index of the compound

Abs window (ret ind): absolute identification window for


retention indices

Window % (ret ind): relative identification window in %, for


retention indices

Cal: check this box if the compound must be used for calibration.

Mode: identification mode

Once identification mode has been selected, identification table


can be filled in either with popup menu or peak picking:

With identification table popup menu:

“Initialize from chromatogram” option fills in the identification


table with chromatogram information.

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Peaks are automatically named and the retention index filled
according to what has been specified in the reference table
information (name, first and last carbon).

Once peaks have been identified, the user must complete the
other fields of the identification table.

With peak picking from the chromatogram:

“Active Picking” option is accessible in the Retention index–


Active picking menu. It allows peak selection directly on the
chromatogram.

Selected peaks are automatically named with homologous series


names, and retention indices filled according to limits defined the
reference table information.

Peaks must be chronologically selected but if an error occurs,


a chronological sorting is proposed.

Once peaks have been identified, the user must complete the
other fields of the identification table.

NOTE: If data about peaks (name, retention time, retention index…) are known
when the method is built, the identification table can be manually
completed.

NOTE: If a chromatogram is processed in retention index mode, and subsequently


reprocessed by a user that does not own the retention index profile; a
sentence informs of the inconsistency in the identification table.

Reference Table Export and Import

• Export:

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Once reference analytical conditions and identification table
have been built in a method, the reference table can be
created in order to be used in other methods.

To export the reference table, select the popup menu


"Export reference table" in the peak identification table of
the reference chromatogram or method.

A file named ‘Chromatogram name.csv’ and readable in


Excel is created, in the directory defined by the user during
the export step. It contains the reference analytical
conditions and the identification table.

• Import:

The reference table can be imported either in a method or in


a chromatogram in order to process unknown
chromatograms with retention indices.

To import the reference table, select the popup menu


"Import reference table" of the peak identification table.

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Retention Index Calculation
In the peak identification table, check "Retention index" box and
if necessary "Identification using index" option.

Processing Method

To calculate retention indices in a chromatogram, analytical


conditions must remain identical.

Unknown chromatograms method must contain retention index


reference parameters (table + analytical conditions). So, it is
mandatory to either import a reference table via the popup menu
"Import reference table" in the identification table, or to
reprocess the chromatogram with a method which contains a
reference table.

The identification table is then filled with reference


chromatogram peaks.

Select RETENTION INDEX /ANALYTICAL CONDITIONS menu,


the following screen appears:

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Reference analytical conditions: It contains the analytical
conditions of the reference. This part cannot be modified in the
chromatogram.

Chromatogram analytical conditions: It contains the analytical


conditions of the unknown chromatogram.

Reference table information: It contains all information about


homologous series of chemical compounds.

Index retention calculation is processed only if analytical


conditions between reference and chromatogram are identical. A
message COMPATIBLE or NOT COMPATIBLE is displayed in order to
advise the user if calculation can be done or not.

NOTE: If a chromatogram is acquired with a method containing retention index


parameters (reference table, analytical conditions), the Chromatogram
Analytical Conditions part is identical to the Reference Analytical
Conditions. If reprocessing a chromatogram not acquired with retention
index parameters with a method containing Retention Index parameters,
the user has to complete the Chromatogram Analytical Conditions
screen.

The button copies reference analytical conditions


into chromatogram ones.

As soon as compatible is displayed, the user can process his

chromatogram ( or ).

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Calculation

The retention index calculation depends on analysis temperature


program (Isotherm, Program, and Mixed)

log(t' x ) − log(t' n )
• Isotherm: i x = 100 * + 100 * n
log(t' n +1 ) − log(t' n )

tx − tn
• Temp. program: i x = 100 * + 100 * n
t n +1 − t n

here: ix: retention index of the peak of interest


t’x: relative retention time of the peak of interest
t’n: relative retention time of the previous reference peak
t’n+1: relative retention time of the next reference peak
tx: retention time of the peak of interest in minutes
tn: retention time of the previous reference peak in minutes
tn+1: retention time of the next reference peak
Where relative retention time (t')= retention time (t)- Dead time

• Mixed: In this program, a rate can only be followed by an


isothermal level. During the rate, calculation is done with the
temp. program formula. During the isothermal level,
calculation is done with isotherm formula. If the peak of
interest is bracketed with reference compounds whose
retention times are on different temperature programs,
calculation is done with temp. program formula.

According to peak identification table information, the Galaxie


Workstation proposes an option which allows calculation of
retention index from retention time, and the reverse calculation.

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Select the Retention index-Computation menu, the following
screen appears:

If retention time is entered, select the button,


retention index will be calculated.

If retention index is entered, select the button,


retention time will be calculated.

NOTE: Calculations are allowed only in the retention time range or in the retention
indices range defined in the identification table.

Variables

Two global variables are available:

Analysis Type [ANALYSISTYPE]: the type of analysis


chromatogram or olfactogram.

Reference table name [REFTABLENAME]: the reference table


name imported in the peak identification table.

Three peak variables are available to display calculation results.

RT ind [RETENTION_INDEX]: retention index of the compound

Ret. Ind. Offset [RETIND_OFFSET]: offset between theoretical


and experimental retention indices.

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Corr.Ret.Ind [RETIND_CORRECT]: corrected retention index
according to reference compounds.

Results

Results are displayed in the Results-Peak report part of the


chromatogram.

Select the "Report properties" popup menu to display Ret Ind,


Ret Ind Offset, Ret ind correct variables.

NOTE: If calculations have been processed within incompatible analytical


conditions, the retention index column will appear in red.

On the chromatogram, compounds of the homologous series


identified are named automatically.

Galaxie Report Editor Report Style

Identification parameters are contained in the 'Method' object of


the Galaxie Report Editor report style.

Results are contained in the 'Peak result' part of the Galaxie


Report Editor report style.

Retention Index for Olfactometry


The Galaxie Workstation proposes retention index calculation for
olfactometric analyses.

In olfactometry to calculate the retention index, the user must


compare a reference chromatogram acquired on a usual
detector with an olfactogram.

There is a shift between the time the product exits the column
and the time the panelist sends his signal. So, there is a
temporal shift between the product real retention time and the
retention time measured in the olfactogram. In olfactometry this
shift can be corrected if it is assumed that the peak start time
(RT start) matches the real retention time of the chromatogram.

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Configuration

To activate this option, the user must be assigned the


appropriate Galaxie Configuration Manager profile. Check the
"Edit peak identification parameters", "Retention index" and
"Retention index for olfactometry" options in the "Method"
subdirectory.

Once this option has been activated, a new menu appears:


Retention Index-Olfactometry

Reference Chromatogram Processing

The reference chromatogram has been acquired on a traditional


chromatographic detector, thus, there is no temporal shift. As
usual, peak identification and retention index calculation are
made with the peak retention time (at peak apex).

Select the Retention index-Olfactometry-Chromatogram menu, in


order to specify that the reference is a chromatogram.

An "Analysis type" variable is created in the chromatogram


properties which indicate that the analysis is a chromatogram.

Reference table building remains the same as when the


"retention index for olfactometry” is not used. (See page 324)

Olfactogram Processing

Retention index calculation in an olfactogram must take into


account the temporal shift with the reference chromatogram.
Retention indices are calculated with the peak start variable
(RT Start).

Select the Retention index-Olfactometry-Olfactogram.

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An "Analysis type" variable is created in the chromatogram
properties which indicates that the analysis is an olfactogram.

Peak identification and retention index calculation in an


olfactogram are made with the RT start variable.

♦ Identification using retention time: "Retention


index" option is checked in the identification table. RT
start of each integrated peak of the olfactogram is
compared to the RT variable of the reference.

Identification using retention index: "Retention


index" and "Identification using index" options
checked. Retention indices are calculated with the RT
start variable for values which are related to the
olfactogram and with the RT variable for values which
are related to chromatogram (see below for the
calculation).

♦ Calculation:

Retention index calculation principle remains the same


than when "retention index for olfactometry" option is
not checked. Only the following formulae change:

log(t'start x ) − log(t' n )
• Isotherm: i x = 100 * + 100 * n
log(t' n +1 ) − log(t' n )

t start x − t n
i x = 100 * + 100 * n
• Temp. program:
t n +1 − t n

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Where: ix: retention index of the peak of interest
t’start x: relative peak start time of the peak of interest (RT
start-dead time)
t’n: relative retention time of the previous reference peak
t’n+1: relative retention time of the next reference peak
t start x: peak start time of the peak of interest in minutes (RT
start)
tn: retention time of the previous reference peak in minutes
tn+1: retention time of the next reference peak
Where relative retention time (t')= retention time (t)- Dead time
The Analytical Conditions Table remains identical whether the
"Retention index for olfactometry" option is checked or not
(see page 335).

Fraction Collection

This section describes the way the Galaxie Chromatography


Data System handles the files acquired with a system which
incorporates a fraction collector.

The Galaxie Chromatography Data System displays specific


chromatogram icons each time peaks are collected with a
fraction collector: Collected fraction annotations and

Display collection log .

Chromatogram Annotations

Galaxie Chromatography Data allows the user to customize


the parameters relative to fractions to display on the
chromatogram. This can be done only on the chromatogram
and not in the acquisition view.

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Each fraction is automatically colored, and can be
annotated.

A fraction corresponds to a single tube and is assigned to a


color. Nevertheless, if consecutive fractions belong to the
same peak (because, for example, they are too large to be
contained in a single tube), they will have the same color. If
the following fraction contains a different peak, then it moves
to another color. Fractions that contain no peaks are shown
in black.

To customize the annotations to display, select the icon,


the following screen is displayed:

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The Fraction Bands parameter group allows the user to
display, if desired, the following parameters according to
whether the option is checked or not:

Show fraction bands: display the colored band under the


fraction.

Show fraction start and stop times: display the start and stop
time vertically, in minutes.

Show fraction separators: display vertical lines to set the


limits of fractions. Limits can be displayed in black or with
the color of the fraction, in solid or dash line.

The Waste Annotation parameter group allows the user to


annotate the part of the chromatogram sent to the waste.

The Fraction Annotation parameter group allows the user


to define the way the fraction is annotated: by name
(Fraction i, Fi, i), by rack and tube location, by tube location,
by time size of the fraction, by fraction initiator mode
(criterion defined in the control part of the method, used to
move the tube).

All those annotation parameters can also be defined in the


Formats / Chromatogram format part of the method of the

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chromatogram. Parameters that the user defines can be saved in
a library. This library will next be used to print a report.

Collection Log
Each time an acquisition (Quick start or sequence) is
performed on a system with a fraction collector module, a
collection log file is created (one per Quick start or one per
sequence containing all the data files acquired in the
sequence).

This file summarizes the way the fractions are collected in


the racks, and gives information on the fractions. The
Collection log file is named: ‘System Name date
time.FRAC1’, and is stored in the project directory. If the log
is generated from a sequence, the date mentioned in the log
file name is the date of the sequence start.

To open Collection log file, first open a chromatogram


belonging to the log, and select the icon, the following
screen is displayed:

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The Fraction collection log file shows both graphics
representing the racks of the collector module and colored
tubes, additionally a spreadsheet containing specific
information is displayed.

An interactive link exists between graphic and spreadsheet:


each time a tube is selected in the graphic it is highlighted in
yellow as well as the corresponding line in the spreadsheet,
and vice versa. The rack scheme is customized according to
the parameters defined in the control part of the method
(number of tubes).

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Some options are available:

: print preview and print (a specific object named


‘Collection log file’ is available in the Galaxie Report Editor).

: open the selected chromatogram. Note that you can


also open a chromatogram by double clicking in the column
‘Data file’, in the corresponding line.

: customize the spreadsheet content. The following


information can be displayed:

Peaks in fraction displays the number of peaks totally or


partially present in the fraction.

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Apices in fraction display the number of peak apices in the
fraction.

Overlay number displays the number of times that the same


tube has been used to collect samples. 1 of 3, for example:
if 3 overlays have been defined in the control part of the
method.

: select the fraction collector(s) whose information must


be displayed in the same spreadsheet. Up to 4 collector
fraction modules can be used.

: Update log, allows the user to update the log file if the
sequence is still running.

: if checked, the lines corresponding to the


waste are displayed in the spreadsheet, if unchecked they
are removed.

: allows the user to sort lines by rack and


tube position, if unchecked, lines are sorted chronologically.
This option can be useful if working in the overlay mode.

Galaxie ASCII Import

The Galaxie ASCII Import directory wizard allows


converting ASCII data (.txt or .csv) into Galaxie data files.
This option is installed by default with Galaxie
Chromatography Data System, it is accessible via the
FILE / IMPORT / ASCII FILES menu or the icon.

The details of this application are described in a separate


user’s guide, available in the Galaxie / Manuals directory.

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Galaxie Arithmetic functions

The Arithmetic functions allows the user to realize


operations (Addition, Multiplication, Subtraction, Division,
and Weighted sum) between either chromatograms or
chromatogram and real numbers.

The Arithmetic functions option is not installed by default


with Galaxie Chromatography Data System. The
program is nevertheless available in the Galaxie /Client
directory.

To install it, select the START / RUN menu, enter


‘regsvr32 ‘ then drag and drop the AX_Arithmetic.dll file
from the GALAXIE / CLIENT directory:

To access the Arithmetic functions options, select the


icon then the sub-menu.

The details of this application are described in a separate


user’s guide, available in the GALAXIE / CLIENT
directory.

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Procedures

This section gives actual examples of:

• How to acquire a chromatogram.

• How to program sequential analyses: the sequence.

• Creating a process method (integration, identification,


quantification and printing).

• How to reprocess a chromatogram (integrate, quantify,


print a report for a standard or an unknown sample).

• How to create a calibration curve.

• How to create a customized report.

How to Acquire a Chromatogram


First create a method containing at least the control and
acquisition parameters. Once the method has been created and
saved, the acquisition can be started.

Select FILE / NEW / NEW METHOD.

One of the following screens is displayed, depending on the way


you log onto the Galaxie Workstation, either in “all projects” or in
a defined project.

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ƒ Define either the name of the project linked with the method
and the name of the system, or only the name of the system.
The method is created and then displayed in the browser.

ƒ Enter the control and acquisition parts of the method:

Control: this section depends on the chromatographic system


and whether it is controlled or not by the Galaxie Workstation.
Define:

- The acquisition rate (number of points acquired per second),

- Start mode: “start on trigger“ if the start signal is triggered by


user (click on the chromatograph’s start button) or by an
autosampler, or “start immediately“ if the Galaxie
Workstation triggers the start.

- The control parameters in the case of a controlled system.

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Acquisition:

Complete at least the following fields: File prefix and Identifier


corresponding to the entire chromatogram name, and
Acquisition length.

Save the method.

2) Start the acquisition (see page 212)

1. Press the button. The following screen is displayed:

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If the system is using an autosampler controlled by the Galaxie
Workstation, define the injection volume, the vial position, the
rack number (if required, otherwise leave at 0 as default), then
click on the START button. If an Internal START is defined, the
Galaxie Workstation controls the START; if an “external START”
is defined (manual injection), inject and then press the START
button on the chromatograph.

3) How to view the current acquisition

In the “system” tab, select the system (click with the mouse on
the left of the system name).

How to Define a Sequence for Analysis


Execution
1. Define an analysis method. A minimal method is enough for
an acquisition (page 346), but it is also possible to process
automatically (identification, quantification, report printing,
etc…) by using a more elaborate method.

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2. Create a sequence: menu FILE / NEW / NEW SEQUENCE,
complete the displayed creation wizards (page 219), by
entering the used system name, the number of lines
(corresponding to the number of samples) and the sequence
name. The sequence is displayed.

3. Complete the sequence (refer to page 227).

Some fields must be completed before starting the sequence:


ƒ the sequence name,
ƒ the RUN NAME,
ƒ the RUN ID,
ƒ the RUN TIME.
All this information is automatically imported from the method
acquisition part if defined.

Specify in the “sample type” column whether the chromatogram


is a “blank to be subtracted”, a “standard” (for automatic creation
of calibration curve, choose this option only if the calibration
mode defined in the method is curve) or an “unknown”. For
standard chromatograms, it is compulsory to complete the “level”
and the “calibration” fields.

4. Start the sequence by clicking the button.

5. To view the current acquisition, select the “system” tab and


then the system name.

6. After each acquisition, a chromatogram is generated and


available for processing (FILE / OPEN / OPEN
CHROMATOGRAM). If standards have been defined the
calibration curve is generated, display it in the ’calibration‘
tab, by using the FILE / OPEN / OPEN CALIBRATION
CURVE menu.

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How to Build a Process Method
(integration, identification, quantification and printing)

It is recommended that the process sections of the method be


done after the acquisition of a chromatogram typical of the
analysis to be performed. In the first step, the parameters are in
the chromatogram method; once completed the method is
extracted from the chromatogram and a method file is generated.
This method will be used to acquire and to reprocess other
chromatograms.

Remember that a method file contains all of the useful


information, from acquisition to report printing via integration,
identification, quantification etc.

8. Acquire a chromatogram with a minimal method (refer to page


346).

9. Open the generated chromatogram, select the method part.

10. Complete the following parts:

ƒ Integration: define the integration events to obtain the


optimum integration. See page 70 for the details of each

event. Once an event is defined, click on the icon


to apply changes. Changes are immediately taken into
account and integration results are available for viewing
in the chromatogram results part.

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ƒ Peak identification:

Click on the right mouse button and select “initialize from


chromatogram” option.

The retention times of all integrated peaks of the chromatogram


are displayed. Type a name for the peaks of interest and delete
any lines which are not of interest (select the entire line, click on
the right mouse button, Delete Current). Define the identification
windows and the identification mode (see page 103).

ƒ Group identification: see page 113.

ƒ Calibration: The user must configure the calibration


parameters in this subsection.

Two examples are described:

Example 1: Response in area, external standard, with a


calibration curve of 3 levels with averaging, results displayed in
µg/L, process unknown peaks with a response factor of 0.59.
ƒ Click on “external standard”,

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ƒ Click on the Initialize from peak ID button, to import all
the identified peaks, or check the Cal. Box of each peak
of interest in the identification table to make the import
automatic.
ƒ Define the parameters: area response, curve response
factor, standard quantities in the identification table
(define the column number using the parameter “level
number”, check the “average levels” box to average
points of the same level before drawing the curve), enter
a curve name (the generated file will contain all the
calibration curves generated, by compound), define the
unknown peaks process.

ƒ The calibration method section is now complete. To use


this method to acquire or reprocess other
chromatograms, it must be extracted. For this save it via
the menu: FILE / SAVE AS / SAVE AS METHOD. Give
a name to the method. The method is created for the
system associated with the chromatogram used for its
creation.
Example 2: Response in height, internal standard with
normalization to 75.8 %, substracting the internal standard(s)
quantity(ies) of final results, use response factors entered by
user, reprocess the unknown compounds as one of the identified
and quantified compound.
ƒ Click on “internal standard”,
ƒ Click on Initialize from peak ID button to import all the
identified peaks, or check the Cal. Box of each peak of
interest in the identification table to make the import
automatic.
ƒ The user must define which peak(s) is (are) internal
standard(s), by checking the corresponding box in the
calibration table.
ƒ Set the other parameters: response in height, manual
factors. Check the “normalize to” box and enter the
normalization percentage, check the “subtract ISTD
mass” to subtract the internal standard quantity(ies) from
results. In the unknown compounds process, select
“reference component” and define in the “Standard” box
the name of the associated internal standard.

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ƒ The calibration method section is complete. To use this
method to acquire or reprocess other chromatograms, it
must be extracted. For this save it via the menu: FILE /
SAVE AS / SAVE METHOD AS. Give a name to the
method. The method is created for the system
associated with the chromatogram used for its creation,
the control section must still be completed.

How to Reprocess a Chromatogram


(integrate, quantify, and print a report for a standard or an unknown sample)

There are two ways to reprocess a chromatogram, the


reprocessing of an individual chromatogram, or the reprocessing
of a series of chromatograms using a reprocessing list.

Individual Chromatogram Reprocess


1. Open the chromatogram to reprocess.

2. Menu PROCESSING / REPROCESS, complete the


following screen:

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In the method section, choose the chromatogram method or
another method selected in the field “method file”. In the
calibration part, specify the sample type: an unknown or a
standard of level (i). If the chromatogram is a standard
(calibration point generation), the user can choose to overwrite
an existing curve by checking the “Clear old points” box, to
overwrite all the points of the same level already built by
checking the ”Clear this level only” box or to add the point to an
existing curve (do not check anything). If the chromatogram is an
unknown, do not check anything.

3. Click on the reprocess button.

When the “processing done” message is displayed, the


chromatogram is reprocessed, click on the done button. The
results are immediately updated in the chromatogram.

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Reprocess simultaneously several chromatograms (refer to
page 265):

3. Create a reprocessing list. Menu FILE / NEW / NEW


REPROCESSING LIST.

Select in the “Chromatogram name” field, the chromatograms to


be reprocessed, specify the method name to be used in the
corresponding field, complete the “sample type” field (specifying
whether the chromatogram is an unknown or a standard). If the
chromatogram is a standard, the “Calibration level” and
“Calibration” columns must be completed.

Depending on the parameters defined in the method, fill in the


other fields as necessary.

4. Start the reprocessing list by clicking on .

Once the reprocess is completed, open the chromatograms and


view the results or check the printed report if any printing was
defined in the method.
NOTE: Chromatograms selected in a reprocessing list must be closed in Galaxie
to be reprocessed.

How to Build a Calibration Curve


A calibration curve can be created either automatically during the
acquisition, or after by reprocessing chromatograms.

Creating a Calibration Curve during the Acquisition


1) Create a method, fill in the identification, and calibration
parts, as mentioned on page 351.
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2) Acquire chromatograms, either using a Quick Start (see
page 212) or a sequence (see page219).

In the case of a simple acquisition, complete the “Quick Start”


windows, in the “calibration” field define the sample type using
the scrolling menu (standard of level1, standard of level 2,
etc…). Check “clear old points” to overwrite an existing
calibration curve, “clear this level only” to overwrite all the points
of the same level or do not check anything to add the point to the
existing calibration curve. Start the acquisition and the
corresponding calibration point is created.

In the case of a sequence, specify in the “Sample Type” column


which chromatograms are standards by selecting “standard”. For
all these standards, it is compulsory to associate a
corresponding level number in the column “Level” and select the
appropriate option in the “calibration” column: “clear old points”
to overwrite an existing calibration curve, “clear this level only” to
overwrite all the points of the same level or do not check
anything to add the point to the existing calibration curve.

Creating Calibration Curve after Chromatogram Acquisition


(see page 243)

1) Create a method, fill in at least the identification and


calibration parts, as mentioned page 351.

2) The process can be made in two ways: using the


REPROCESS function to reprocess one chromatogram after
the other, or using a Reprocessing list to reprocess several
chromatograms.

REPROCESS: the chromatograms to reprocess must be open,


select the menu PROCESSING / REPROCESS and follow the
instructions.

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Reprocessing List (see page 265):

Select the chromatograms to be reprocessed in the


“Chromatogram name” column. Specify the name of the method
to be used in the corresponding field and complete the “sample
type” column. For the standard chromatograms do not forget to
fill in both “Calibration level” and “Calibration” columns.

Depending on the parameters defined in the method, fill in the


other fields.

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How to Print a Customized Report
5. A report template must first be created, define the objects to
be printed: chromatogram, result table, calibration curve, text,
etc. This template is created from Galaxie Report Editor.

Select the FILE / NEW / NEW REPORT STYLE menu. The


Galaxie Report Editor interface is displayed:

Define the template (refer to the Galaxie Report Editor user’s


Guide), save it and close the Galaxie Report Editor.

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6. In the Galaxie Workstation, in the “report style” part of the
method select the template name in the “File” box, and define
the number of reports to be printed.

Report printing is automatic during an acquisition (QUICK


START), a sequence, a reprocessing list or a reprocess
using the function, using a method in which a template
and at least one printing is specified. Nevertheless, it is
possible to do all these functions without printing the report
by unchecking the printing option in the “Options” tab of the
REPROCESS or of the QUICK START or in the ”Method
properties” column of the sequence or of the reprocessing
list.

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How to Print a Calibration Curve
1. Create a calibration curve (page 356).

2. Create a report style in the Galaxie Report Editor, for which


the calibration curve object is specified.

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Open a chromatogram whose method contains a calibration
curve name (calibration section) and then print by clicking on the

icon.

Two options are proposed:

• Printing from a chromatogram: open a chromatogram,


define a report style in which the Calibration curve
object is defined in the corresponding part of its method,

then click on the icon.

• Printing from a calibration curve by clicking on the


icon.

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Glossary

External standard: The external standard calibration allows


calculation of the identified peak quantities, using a calibration
curve or a manual response factor, which is entered by the user.

Galaxie Configuration Manager: It is the Galaxie Workstation


maintenance manager. It allows the user to declare, configure,
manage chromatographic systems, and define the user base
(users, groups, projects, profiles).

Galaxie Report Editor: It is the report printing manager of the


Galaxie Workstation.

Internal standard: Internal standard calibration requires the


addition of a known quantity of a defined compound(s) in every
sample to be analyzed. In the same way as for the external
standard, a calibration curve is created or manual response
factors entered. The calibration curve created takes into account
the internal standard quantity associated with the compound.
This calculation method is used more in gas chromatography to
compensate for the inaccuracy of the injection volume (manual
injection).

Method templates: The method templates are models for new


methods. If you defined variables, chromatograms or peak report
formats, etc… which you would like to reuse with other methods,
you should save the method as a template. When you create a
new method, you have the possibility to create it from a template.
The method template uses the whole method, except the
instrument control section.

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Popup menu: a popup menu is a menu associated with an
object and hidden most of the time. To view the popup menu of
an object, press the right mouse button inside the object. Then
choose any item of the popup menu with the left mouse button.
The object can be a curve, a table, a browser, etc.

Standalone: This term concerns the configuration mode of the


software. It means that the software is not set for a network
configuration, but is used locally on one computer.

System variables: Many variables allowing for specific


calculations on peaks, groups or global chromatogram are
available in the Galaxie Workstation. These variables are
calculated automatically for each chromatogram.

User input variables: As opposed to a system variable, a user


input is created by the user. Two user input types exist: the user
input for which user must then enter a value or text and the user
formula for which the user creates customized calculations, not
made by default in the Galaxie Workstation.

Working scale: See Full scale.

Workstation: It is the name of the computer on which the


software is installed.

See also the Galaxie Configuration Manager User’s Guide


Glossary.Index

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Index

A F
Absolute threshold, 100 Fraction collector, 337
Full screen, 274
B
G
Blank subtraction, 69
Boolean, 201 Graphic properties, 151
Bracketing, 269 Group name, 41
Group table, 148, 284
C
I
Calibration
Response %, 122 Identification window, 105
Calibration curve Integration algorithm, 94
External standard, 125 Integration events
Internal standard, 132 Peak detection, 70
Control, 63 Inverse response factor, 135

D K
Dead time, 66, 226 Kovats index. see Retention index
Divisor, 123, 134
Divisor factor, 66, 123, 124, 125, 129, 130,
131 L
Logon, 26
E
Event annotations, 150, 280 M
Manual operation, 260
Mass percentage, 124, 130
Mass ratio, 124, 129

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Method, 60 Specific channel parameters, 66, 68, 230,
Method template, 49, 166 287
Method templates, 363 Spike reduction, 94
Multi injector, 63, 218, 228, 230, 236 Summary report, 291
Multiplier, 123, 134
Multiplier factor, 66, 123, 124, 125, 129, 130,
131 T
Table format, 145
N Tangent skim front, 89
Time drift, 172
Noise, 75, 96, 191 Token, 241
Normalized threshold, 97
U
O
User name, 41
Open file, 49
V
P
Variables
Password, 27 Custom variables, 195
Peak annotation, 281 User input, 198
Peak annotations, 149 Viewing
Peak table, 283 a chromatogram, 36
Popup menu, 364 Viewing
Post processing, 48 a reprocessing list, 39
Pre processing, 69 Viewing
Project name, 41 an acquisition, 40
Viewing
a calibration curve, 40
R
Reference chromatogram, 239 W
Reference peak, 106, 172
Relative response factors, 142 Working scale, 364
Relay, 64 Workspace, 273
Response factor, 135 3D, 277
Curve, 125 Comparison, 276
Manual, 128 Overlay chromatogram, 274
Response unit, 123, 129 Stack chromatogram, 274
Retention index, 323
Z
S
Zoom, 247, 306
Slice integration, 76

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