JNM-ECZ Series

DATA PROCESSING
USER'S MANUAL

For the proper use of the instrument, be sure to

read this instruction manual. Even after you read it,
please keep the manual on hand so that you can
consult it whenever necessary.
 JNM-ECZ Series

DATA PROCESSING
USER'S MANUAL

JNM-ECZR series JNM-ECZS series

This manual is intended to help users gain a deeper understanding of the

JNM-ECZ series FT NMR system, so they can make better use of its functions for
data processing.

Please be sure to read this instruction manual carefully,

and fully understand its contents prior to the operation
or maintenance for the proper use of the instrument.
 NOTICE

・ The information described in this manual, and the specifications and contents of the software described in this manual are
subject to change without prior notice due to the ongoing improvements made in the instrument.
・ In no event shall JEOL RESONANCE be liable for any direct, indirect, special, incidental or consequential damages, or any
other damages of any kind, including but not limited to loss of use, loss of profits, or loss of data arising out of or in any way
connected with the use of the information contained in this manual or the software described in this manual. Some countries do
not allow the exclusion or limitation of incidental or consequential damages, so the above may not apply to you.
・ This manual and the software described in this manual are copyrighted, all rights reserved by JEOL RESONANCE and/or
third-party licensors. Except as stated herein, none of the materials may be copied, reproduced, distributed, republished,
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owner.
・ When this manual or the software described in this manual is furnished under a license agreement, it may only be used or
copied in accordance with the terms of such license agreement.

Copyright  2014 JEOL RESONANCE Inc.

・ In some cases, this instrument, the software, and the instruction manual are controlled under the “Foreign Exchange and
Foreign Trade Control Law” of Japan in compliance with international security export control. If you intend to export any of
these items, please consult JEOL RESONANCE. Procedures are required to obtain the export license from Japan’s
government.

TRADEMARK
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・ All other company and product names are trademarks or registered trademarks of their respective companies.
 CONTENTS

1 FUNDAMENTALS OF DELTA
1.1 STARTING AND EXITING DELTA................................................. 1-1
1.2 COMPONENTS OF WINDOWS ...................................................... 1-3
1.2.1 1D Processor Window .................................................................... 1-3
1.2.2 Data Slate Window......................................................................... 1-4
1.2.3 nD Processor Window .................................................................... 1-4
1.2.4 2D Viewer Window........................................................................ 1-5
1.2.5 3D Viewer Window........................................................................ 1-5
1.2.6 3D Slicer Window .......................................................................... 1-6
1.2.7 Curve Analysis Window ................................................................ 1-6
1.3 POINTER BAR .................................................................................. 1-7
1.3.1 Changing Mode by Selecting Button ............................................. 1-8
1.3.2 Button to Display Key-Commands ................................................ 1-9
1.3.3 Buttons to Select Mode ................................................................ 1-11
1.4 CHANGING THE DISPLAY OF A SPECTRUM .......................... 1-17
1.4.1 Expanding a Spectrum (Zoom) .................................................... 1-17
1.4.2 Moving a Spectrum ...................................................................... 1-19
1.4.3 Expanding or Reducing a Spectrum (Zoom + Modifier 1) .......... 1-21
1.4.4 Changing the Y-Axis Gain ........................................................... 1-24
1.5 PROCESS LIST ............................................................................... 1-25
1.5.1 Process List .................................................................................. 1-25
1.5.2 Process List Composition ............................................................. 1-27
1.5.2a Process list.............................................................................. 1-27
1.5.2b Process control buttons .......................................................... 1-28
1.5.3 Creating and Editing a Process List ............................................. 1-29
1.5.3a Appending a process to the process list ................................. 1-29
1.5.3b Inserting a process in the process list ..................................... 1-29
1.5.3c Replacing a process in the process list ................................... 1-30
1.5.3d Moving the process ................................................................ 1-30
1.5.3e Deleting the process you select .............................................. 1-30
1.5.3f Changing the process parameters ........................................... 1-31
1.5.4 Deleting All the Processes............................................................ 1-33
1.5.5 Loading the Process List File ....................................................... 1-34
1.5.5a Loading the process list file from the hard disk ..................... 1-34
1.5.5b Loading the process list file from another window on
the screen ............................................................................... 1-35
1.5.6 Saving the Process List................................................................. 1-36
1.5.7 Executing the Process List ........................................................... 1-37
1.6 LOADING AND SAVING DATA ................................................... 1-39
1.6.1 Loading a Data File ...................................................................... 1-39
1.6.1a Loading a data file to the window
which automatically selected ............................................... 1-39
1.6.1b Loading a data file to the specified window .......................... 1-41
1.6.1c Searching for data .................................................................. 1-42
1.6.2 Saving NMR Data ........................................................................ 1-46
1.6.2a Saving measurement data....................................................... 1-46
1.6.2b Saving processed data ............................................................ 1-47

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 1.7 CONVERSION OF NMR DATA ..................................................... 1-50
1.7.1 Data Formats Supported by Delta................................................. 1-50
1.7.2 Importing Data.............................................................................. 1-51
1.7.3 Exporting Data.............................................................................. 1-52
2 1D NMR DATA PROCESSING
2.1 1D PROCESSOR WINDOW ............................................................. 2-1
2.2 1D DATA PROCESSING................................................................... 2-5
2.2.1 Canceling the DC Offset................................................................. 2-5
2.2.2 Zero-Filling..................................................................................... 2-6
2.2.3 Window Function ........................................................................... 2-7
2.2.3a Setting a window function........................................................ 2-7
2.2.3b Changing the parameters for the window function .................. 2-8
2.2.3c Changing the window function ................................................ 2-9
2.2.3d Setting multiple window functions......................................... 2-10
2.2.4 Fast-Fourier Transformation ......................................................... 2-11
2.2.5 Phase Correction ........................................................................... 2-12
2.2.5a Automatic phase correction .................................................... 2-12
2.2.5b Manual phase correction ........................................................ 2-12
2.2.6 Baseline Correction ...................................................................... 2-15
2.2.6a Automatic baseline correction ................................................ 2-15
2.2.6b Manual baseline correction .................................................... 2-15
2.2.7 Unit for Axis ................................................................................. 2-18
2.2.8 Reference Setting .......................................................................... 2-18
2.2.8a Setting the reference using the pointer bar ............................. 2-18
2.2.8b Setting the reference using the Reference command.............. 2-19
2.2.9 Peak Detection .............................................................................. 2-20
2.2.9a Automatic peak detection ....................................................... 2-20
2.2.9b Manual peak detection ........................................................... 2-23
2.2.10 Integration..................................................................................... 2-26
2.2.10a Automatic integration ............................................................. 2-26
2.2.10b Manual integration ................................................................. 2-26
2.2.11 Transfer Integral Tool Window ..................................................... 2-30
2.2.12 Comment ...................................................................................... 2-31
2.2.13 PiP （Picture in Picture） ............................................................... 2-33
2.2.14 Setting Display Range of Spectrum.............................................. 2-34
2.2.15 Plotting ......................................................................................... 2-36
2.3 DECONVOLUTION ........................................................................ 2-37
3 2D NMR DATA PROCESSING
3.1 nD PROCESSOR WINDOW ............................................................. 3-1
3.1.1 nD Processor Window .................................................................... 3-1
3.1.2 Domain ........................................................................................... 3-3
3.1.3 Process List ..................................................................................... 3-3
3.1.4 Process Levels ................................................................................ 3-4
3.2 2D DATA PROCESSING................................................................... 3-5
3.2.1 Zero-Filling..................................................................................... 3-5
3.2.2 Window Function ........................................................................... 3-6
3.2.2a Setting a window function........................................................ 3-6
3.2.2b Changing the parameters for the window function .................. 3-7
3.2.2c Changing the window function ................................................ 3-8
3.2.2d Setting multiple window functions........................................... 3-9
3.2.2e Checking the window function using 1D slice data ............... 3-10
3.2.3 Symmetrization............................................................................. 3-12
3.2.4 Adjusting Levels of the Contour Lines (1) ................................... 3-13
3.2.5 Adjusting Levels of the Contour Lines (2) ................................... 3-16

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 3.2.6 Projection ..................................................................................... 3-17
3.2.6a Whole range projection .......................................................... 3-17
3.2.6b Partial projection .................................................................... 3-17
3.2.6c Projection modes .................................................................... 3-17
3.2.7 Loading and Processing 1D Slice Data ........................................ 3-18
3.2.7a Displaying slice data using the process list ............................ 3-18
3.2.7b Displaying slice data in the 2D Viewer window .................... 3-19
3.2.8 Pasting a High-Resolution 1D NMR Spectrum ............................ 3-20
3.2.8a Pasting data from a disk ......................................................... 3-20
3.2.8b Pasting the displayed data ...................................................... 3-21
3.2.8c Pasting data displayed in another window ............................. 3-22
3.2.9 Reference Setting ......................................................................... 3-23
3.2.10 Peak Pick ...................................................................................... 3-24
3.2.10a Setting the J value .................................................................. 3-25
3.2.10b Adjusting the threshold and base levels ................................. 3-25
3.2.10c Displaying the results of peak pick in the Spread
Sheet window ......................................................................... 3-26
3.2.11 Data Processing of Phase Sensitive 2D Data ............................... 3-26
3.2.11a Phase-correction processing ................................................... 3-26
3.2.11b Positive and negative peak display control ............................ 3-31
3.2.12 Eliminating the T1 Noise ............................................................. 3-33
3.2.13 Other Processing .......................................................................... 3-34
4 ARRAY DATA PROCESSING
4.1 OUTLINE OF ARRAY MEASUREMENT
DATA PROCESSING ........................................................................ 4-1
4.2 PROCESSING METHOD FOR
ARRAY MEASUREMENT DATA .................................................... 4-2
4.2.1 Processing All Data as a Single Data File ...................................... 4-2
4.2.1a When process conditions are saved in the process list ............. 4-2
4.2.1b When the process list is not provided ...................................... 4-3
4.2.1c Displaying arbitrary data in the Data Slate window ................ 4-7
4.2.2 Processing arbitrary Data taken from the Measurement Data ........ 4-8
5 ADDING AND SUBTRACTING THE DATA
5.1 DISPLAYING THE OPERATE ON FILES WINDOW .................... 5-1
5.2 ADDING AND SUBTRACTING
THE MEASUREMENT DATA (FID) ............................................... 5-2
5.3 ADDING OR SUBTRACTING THE PROCESSED DATA ............. 5-5
6 BATCH PROCESSING
6.1 DISPLAYING THE BATCH PROCESS FILES WINDOW ............. 6-1
6.2 BATCH PROCESSING OF MEASUREMENT DATA (FID)........... 6-2
7 COMBINING THE 1D NMR DATA SETS
7.1 COMBINE FILES WINDOW ........................................................... 7-1
7.2 COMBINING THE 1D NMR DATA SETS....................................... 7-1
8 DATA SLATE WINDOW
8.1 DATA SLATE WINDOW .................................................................. 8-1
8.2 OPENING THE DATA SLATE WINDOW ....................................... 8-2
8.3 DISPLAYING ADDITIONAL PROCESSED DATA ........................ 8-3
8.3.1 Displaying Additional Data in Another Geometry......................... 8-4
8.3.2 Overlaying Additional Data in a Single Geometry ........................ 8-5
8.4 CONTROLLING THE DISPLAY ..................................................... 8-6
8.4.1 Display of Multiple Geometries ..................................................... 8-6
8.4.2 Controlling Display of Multiple Data in a Geometry..................... 8-9
8.5 PEAK PICKING AND INTEGRATION ......................................... 8-12

NMECZ-USP-1 C-3
 9 SPREAD SHEET
9.1 SPREAD SHEET WINDOW ............................................................. 9-1
9.2 DISPLAYING RESULTS OF PEAK PICKING
AND INTEGRATION ........................................................................ 9-2
9.3 PLOTTING THE SPREADSHEET ................................................... 9-4
9.4 SAVING THE SPREADSHEET AS A CSV FILE ............................ 9-4
9.5 USING CALCULATOR PANEL ....................................................... 9-5
10 3D NMR DATA PROCESSING
10.1 DISPLAY OF 3D DATA .................................................................. 10-1
10.1.1 3D Viewer Window ...................................................................... 10-1
10.1.2 Data Slate Window ....................................................................... 10-2
10.2 SLICE OPERATION OF 3D DATA ................................................. 10-3
10.2.1 How to Use 3D Slicer ................................................................... 10-3
11 HOW TO USE PROCESSING FUNCTIONS
11.1 PRE TRANSFORM.......................................................................... 11-1
11.2 WINDOW......................................................................................... 11-3
11.3 TRANSFORM .................................................................................. 11-4
11.4 POST TRANSFORM ....................................................................... 11-5
11.5 DISPLAY.......................................................................................... 11-7
12 DISPLAY FUNCTIONS OF PROCESSING DATA
12.1 POP UP MENU IN 1D DATA SCREEN ......................................... 12-1
12.1.1 Pop-Up Menu ............................................................................... 12-1
12.1.2 Setting Each Item ......................................................................... 12-4
12.2 POP-UP MENU IN 2D DATA SCREEN ......................................... 12-8
12.2.1 Pop-Up Menu ............................................................................... 12-8
12.2.2 Setting Each Item ....................................................................... 12-11
12.3 POP-UP MENU IN LEVEL TOOL ............................................... 12-16
12.3.1 Pop-Up Menu ............................................................................. 12-16
12.3.2 Setting Each Item ....................................................................... 12-17
INDEX

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 FUNDAMENTALS OF
1
DELTA
1.1 STARTING AND EXITING DELTA............................................ 1-1
1.2 COMPONENTS OF WINDOWS.................................................. 1-3
1.2.1 1D Processor Window .................................................................... 1-3
1.2.2 Data Slate Window......................................................................... 1-4
1.2.3 nD Processor Window .................................................................... 1-4
1.2.4 2D Viewer Window........................................................................ 1-5
1.2.5 3D Viewer Window........................................................................ 1-5
1.2.6 3D Slicer Window .......................................................................... 1-6
1.2.7 Curve Analysis Window ................................................................ 1-6
1.3 POINTER BAR ............................................................................... 1-7
1.3.1 Changing Mode by Selecting Button ............................................. 1-8
1.3.2 Button to Display Key-Commands ................................................ 1-9
1.3.3 Buttons to Select Mode ................................................................ 1-11
1.4 CHANGING THE DISPLAY OF A SPECTRUM..................... 1-17
1.4.1 Expanding a Spectrum (Zoom) .................................................... 1-17
1.4.2 Moving a Spectrum ...................................................................... 1-19
1.4.3 Expanding or Reducing a Spectrum (Zoom + Modifier 1) .......... 1-21
1.4.4 Changing the Y-Axis Gain ........................................................... 1-24
1.5 PROCESS LIST ............................................................................ 1-25
1.5.1 Process List .................................................................................. 1-25
1.5.2 Process List Composition ............................................................. 1-27
1.5.2a Process list .............................................................................. 1-27
1.5.2b Process control buttons ........................................................... 1-28
1.5.3 Creating and Editing a Process List ............................................. 1-29
1.5.3a Appending a process to the process list .................................. 1-29
1.5.3b Inserting a process in the process list ...................................... 1-29
1.5.3c Replacing a process in the process list .................................... 1-30
1.5.3d Moving the process ................................................................. 1-30
1.5.3e Deleting the process you select ............................................... 1-30
1.5.3f Changing the process parameters............................................ 1-31
1.5.4 Deleting All the Processes............................................................ 1-33
1 FUNDAMENTALS OF DELTA

1.5.5 Loading the Process List File ....................................................... 1-34

1.5.5a Loading the process list file from the hard disk ...................... 1-34
1.5.5b Loading the process list file
from another window on the screen ........................................ 1-35
1.5.6 Saving the Process List ................................................................ 1-36
1.5.7 Executing the Process List ........................................................... 1-37
1.6 LOADING AND SAVING DATA ................................................ 1-39
1.6.1 Loading a Data File ...................................................................... 1-39
1.6.1a Loading a data file to the window
which automatically selected .................................................. 1-39
1.6.1b Loading a data file to the specified window ........................... 1-41
1.6.1c Searching for data ................................................................... 1-42
1.6.2 Saving NMR Data ........................................................................ 1-46
1.6.2a Saving measurement data ....................................................... 1-46
1.6.2b Saving processed data ............................................................. 1-47
1.7 CONVERSION OF NMR DATA ................................................ 1-50
1.7.1 Data Formats Supported by Delta ................................................ 1-50
1.7.2 Importing Data ............................................................................. 1-51
1.7.3 Exporting Data ............................................................................. 1-52

1.b NMECZ-USP-1
 1 FUNDAMENTALS OF DELTA

1.1 STARTING AND EXITING DELTA

This section explains how to start and exit the Delta program.
 For the method for starting and stopping the spectrometer and the data system, refer
to the separate volume of instruction manual “Handling of Hardware” and the manual
for the workstation.

■ Starting the Delta program

 Double-click the Delta icon.

The Delta program starts and the Delta Console window opens.

Fig. 1.1 Delta Console window

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1 FUNDAMENTALS OF DELTA

■ Exiting the Delta program

1. In the Delta Console window, click File — Quit.

Point to File in the menu bar of the Delta Console window and press the left mouse
button to show its command list. In the command list, click Quit.

The Confirm dialog box appears.

Fig. 1.2 Confirm dialog box

2. Click Ok.
The Delta program ends.

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 1 FUNDAMENTALS OF DELTA

1.2 COMPONENTS OF WINDOWS

This section explains the functions of the windows that are frequently used when
processing the data.

1.2.1 1D Processor Window

 Select Process — 1D Processor in the Delta Console window.
You can process one-dimensional NMR data in the 1D Processor window.
Title bar Menu bar Tool bar/tool button FID display area

Input data Process

list

Output data

Processed data display area

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1 FUNDAMENTALS OF DELTA

1.2.2 Data Slate Window

 Select View — Data Slate in the Delta Console window.
The Data Slate window can be used for the data files having different dimensions.
This window can display multiple spectra.
Title bar Menu bar Tool bar/tool button

1.2.3 nD Processor Window

 Select Process — nD Processor in the Delta Console window.
The nD Processor window processes two- to eight-dimensional data. Using the
process list, the processing is carried out for each axis.
Title bar Menu bar Tool bar／tool button

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 1 FUNDAMENTALS OF DELTA

1.2.4 2D Viewer Window

 Select View — 2D Viewer in the Delta Console window.
The 2D Viewer window displays two-dimensional data. This window displays a
two-dimensional spectrum and one of the following one-dimensional data: slice data,
projection data, and high-resolution one-dimensional data.
Title bar Menu bar Tool bar/tool button

1.2.5 3D Viewer Window

 Select View — 3D Viewer in the Delta Console window.
The 3D Viewer window displays three-dimensional data. This viewer displays a
three-dimensional spectrum and its projections: two-dimensional and one-dimensional
projections. This window can also display slice data in the area for projection data.
Title bar Menu bar Tool bar/tool button

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1 FUNDAMENTALS OF DELTA

1.2.6 3D Slicer Window

 Select View — 3D Slicer in the Delta Console window.
The 3D Slicer window displays a slice spectrum of three-dimensional data. This window
displays three-dimensional data, two-dimensional data, and one-dimensional slice
data.
Title bar Menu bar Tool bar/tool button

1.2.7 Curve Analysis Window

 Select Analyze — Curve Analysis in the Delta Console window.
The Curve Analysis window processes the data, such as relaxation-time measurement
data and diffusion data.
Title bar Menu bar Tool bar/tool button

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 1 FUNDAMENTALS OF DELTA

1.3 POINTER BAR

In Delta, using the pointer bar, you can change the function for data processing, such as
expanding and moving the spectrum, and picking and integrating the peak.

Pointer bar
Fig. 1.3 Pointer bar in the display area for processing data

The pointer bar consists of the following buttons and symbols.

Button to display key-commands

Buttons to select the mode Indicators of modifier functions

Fig. 1.4 Pointer bar

Clicking each of the buttons at the left side of the pointer bar selects its mode. At the right
side of the pointer bar are the indicators of the modifier functions and the button to display
key-commands. The indicators of modifier state change depending on their functions.

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1 FUNDAMENTALS OF DELTA

1.3.1 Changing Mode by Selecting Button

■ How to select the mode in the pointer bar

 Click a button on the pointer bar.

The pointer bar contains the following seventeen buttons for selecting the mode. They
are sorted to four groups according to their functions.
Group Button Mode Function
Object/View Zoom Expands/reduces the spectrum.
operation
Pan Moves the spectrum.

Gain Increases/reduces the intensity of the

spectrum peaks.
Select Selects the object.

Data Phase Corrects the phase.

operation
Copy Position Reads the position of the peak.

Threshold Sets a threshold level.

Reference Sets the chemical-shift reference for the

axis marker.
Object Peak Picks the peak.
creation
Integral Integration.

Measure Displays a measure on the data.

Cursor Corrects the baseline or displays the

difference between two points.
Annotation Types a comment in the geometry.

Molecule Displays the structural/molecular formula

in the geometry.
PiP Creates a partial spectrum from the whole
spectrum range, and displays it in the same
geometry.
Tool action Region Selects a region and displays it in another
geometry.
Pick Slices the 2D data.

 The two buttons in the tool-action group do not appear in the 1D Processor window.

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 1 FUNDAMENTALS OF DELTA

■ How to select the desired button

1. Move the mouse pointer to the desired button.

2. Click and hold down the left mouse button.
If the button has an arrow (▼) at the bottom right of it, the pull-down menu appears.
If the button does not have an arrow (▼), the pull-down menu does not appear.
3. While holding down the left mouse button, move the pointer to the desired
button in the pull-down menu, and release the mouse button.
The button you clicked appears depressed and is displayed on the pointer bar.

■ How to use the extended functions

You can see the state of the modifier function and accelerator function on the pointer bar.
While pressing the key according to the function, the function is extended.
● Modifier functions
Pressing the Alt or Shift key extends/limits the function of the mode that is being
selected on the pointer bar. The function of the modifier changes according to the selected
mode.
 If your computer is a Macintosh, press the Option or Shift key.
 If you press the two keys at one time, both functions take effect.
● Accelerator functions
During pressing the Ctrl key, the specific mode that was selected on the pointer bar
changes to the other mode.
 If your computer is a Macintosh, press the Command key.
Also, during pressing the Space key, all modes change to the Zoom mode.

1.3.2 Button to Display Key-Commands

You can change the function by using key-commands.
■ How to execute the key-commands

1. Move the pointer to the button.

2. Hold down the left mouse button.
A pop-up menu appears and displays the list of key-commands.
3. While holding down the left mouse button, move the pointer to the
key-command you want to select, and release the mouse button.
The selected key-command is executed.
 Pressing the key on the keyboard whose letters are in square brackets [ ] after
each key-command also executes the same command.

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1 FUNDAMENTALS OF DELTA

■ Examples of executing the key-command

● Reset View [Home]

Selecting this key command returns the spectrum to the initial display.

1. Move the pointer to the button.

2. Hold down the left mouse button.
The list of key commands appears.
3. While holding down the left mouse button, move the pointer to Reset View
[Home], and release the mouse button.
This returns the spectrum to the initial display state.
 Pressing the Home key on the keyboard also executes this command.
● Unzoom [–]
Selecting this key command returns the spectrum to the latest display.

1. Move the pointer to the button.

2. Hold down the left mouse button.
The list of key commands appears.
3. While holding down the left mouse button, move the pointer to Unzoom [–],
and release the mouse button.
This returns the spectrum to the latest display.
 Pressing the – key on the keyboard also executes this command.
● Scale Y [End]
Selecting this key command optimizes the height of the largest peak on the screen.

1. Move the pointer to the button.

2. Hold down the left mouse button.
The list of key commands appears.
3. While holding down the left mouse button, move the pointer to Scale Y [End],
and release the mouse button.
This increases or decreases the intensity of the spectrum so that the largest peak in the
display range appears near the top of the data display area.
 Pressing the End key on the keyboard also executes this command.

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1.3.3 Buttons to Select Mode

This section explains the functions of the buttons on the pointer bar.
The modifier function takes effect while the key is pressed. You can press both Alt and
Shift keys to have the effect of both functions.

■ Zoom mode

You can expand or reduce the spectrum with this mode.

Button/indicator Mode Function
Zoom Expands/reduces the spectrum in the range you
surround with a box using the mouse.
Expand Expands/reduces the spectrum.
(Modifier 1)
Constrain Direction Specifies the direction to expand in either the X- or
(Modifier 2) Y-axis direction.
 The Expand tool (Modifier 1) expands/reduces the spectrum around the position
clicked by the mouse.
 For information on operating the Zoom mode, refer to Sect. 1.4, “CHANGING THE
DISPLAY OF A SPECTRUM”.

■ Pan mode

The Pan mode moves the spectrum.

Button/indicator Mode Function
Pan Moves the spectrum.

Selected Overlay Among the spectra overlaid in the Data Slate window,
(Modifier 1) this button moves only the spectrum you specify.
Constrain Specifies the direction to expand in either the X- or
Direction Y-axis direction.
(Modifier 2)

 For information on operating the Pan mode, refer to Sect. 1.4, “CHANGING THE
DISPLAY OF A SPECTRUM”.

■ Gain mode

The Gain mode increases or decreases the intensity of the spectrum peaks.
Button/indicator Mode Function
Gain Increases/decreases the intensity of the spectrum peaks.

Selected Overlay Among the spectra overlaid in the Data Slate window,
(Modifier 1) this button increases/decreases the gain of only the
spectrum you specify.

 This mode does not have a function for Modifier 2.

 For information on operating the Gain mode, refer to Sect. 1.4.4, “Changing the
Y-Axis Gain”.

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1 FUNDAMENTALS OF DELTA

■ Select mode

The Select mode selects the object.

Button/indicator Mode Function
Global Select Selects an object.

Smart object selection Selects an object of the mode you used last time.

Toggle selection When an object is being selected, you can select

(Modifier 2) another more object.

 This mode does not have a function for Modifier 1.

 The icon of the Smart object tool changes according to the kind of the object you can
select.

■ Phase mode

The Phase mode corrects the phase.

Button/indicator Mode Function
Adjust the Phase P0 Adjusts the display-phase parameter PP, and
value corrects the zero-order phase parameter (P0).
Adjust the Phase P1 Corrects the first-order phase parameter (P1).
value (Modifier 1)

 This mode does not have a function for Modifier 2.

 For information on operating the Phase mode, refer to Sect. 2.2.5, “Phase Correction”.
■ Copy Position mode

The Copy Position mode reads the position of the peak.

Button/indicator Mode Function
Copy Position Copies the position of the peak you read.

Snap-to-Peak-Top Copies the position of the peak that is nearest to the

(Modifier 2) position you specify.
Copy Area Reads and copies the area you specify.

Constrain Aspect Ratio Reads and copies the square area you specify.
(Modifier 2)
Copy Amplitude Copies the intensity of the peak you read.

Snap-to-Peak-Top Copies the intensity of the peak that is nearest to the

(Modifier 2) position you specify.

 If the mode of the Copy Position button changes, the function of the modifier function
also changes.
 This mode does not have a function for Modifier 1.

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■ Threshold mode

The Threshold mode adjusts the threshold level.

Button Mode Function
Adjust peak Threshold Adjusts the threshold level. A peak that is higher than this
level will be detected as a peak in the peak-pick.

 This mode does not have functions for Modifier 1 and 2.

 For information on operating the Threshold mode, refer to Section 2.2.9.
■ Reference mode

The Reference mode sets up the reference of the chemical shift for the axis marker.
Button/indicator Mode Function
Paste reference Pastes the reference on the peak that is nearest to the
specified position.
Selected Overlay Among the spectra overlaid in the Data Slate window, this
(Modifier 1) button pastes the reference on the spectrum you specify.
No-Snap-to-Peak Pastes the reference on the position you specify, regardless
(Modifier 2) of the height of the threshold level.

 You can set the reference value using the Options menu.
 Reference”.
For information on operating the Reference mode, refer to Sect. 2.2.8, “Setting a

■ Peak mode

The Peak mode performs the peak picking operation.

Button/indicator Mode Function
Create Peak Picks a peak that is nearest to the specified position as a
new peak. Or, this button picks the peak that was selected.
Force Create Adds the specified position as a peak. This button does not
(Modifier 1) select a peak.
No-Snap-to-Peak Adds the specified position as a peak, regardless of the
(Modifier 2) height of the threshold level.

 In the Peak mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)
 For information on operating the Peak mode, refer to Sect. 2.2.9, “Peak Detection”.

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■ Integral mode

The Integral mode integrates the spectrum.

Button/indicator Mode Function
Create integral Sets up a new integration range. Or, this button selects an
integral range that is already specified.
Force Create Sets up a new integration range. This button does not select
(Modifier 1) an integral range that is already saved.
Unlock-from-Data Adjusts the base line level for the integration operation, and
(Modifier 2) sets the range to integrate.

 In the Integral mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)
 For information on operating the Integral mode, refer to Sect. 2.2.10, “Integration”.

■ Measure mode

The Measure mode creates a measure on the data.

Button/indicator Mode Function
Create Measure Creates the measure range in the arbitrary places of the data
display area. Or, this button selects the measure that already
exists.
Force Create Creates a measuring range in the arbitrary places of the data
(Modifier 1) display area. This button does not select the measure that
already exists.
Constrain Angle Limits the direction to measure to the eight directions:
(Modifier 2) vertical, horizontal, and oblique.

 In the Measure mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)

■ Cursor mode

The Cursor mode puts a cursor on the data.

Button/indicator Mode Function
Create cursor Creates a crosshair cursor. Or, this button selects the cursor
that already exists.
Force Create cursor Creates a crosshair cursor. This button does not select the
(Modifier 1) cursor that already exists.
Snap-to-Peak-Top Creates a cursor on top of the peak near the position you
(Modifier 2) specify.

 In the Cursor mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)

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■ Annotation mode

The Annotation mode displays texts explanation on the geometry.

Button/indicator Mode Function
Create Text Creates a text explanation at the place you specify in the
data display area. Or, this button selects the text that you
want to correct.
Force Create Creates a text at the place you specify in the data display
(Modifier 1) area. This button does not select a text.
Create Rectangle Creates a rectangle at the place you specify in the data
display area. Or, this button selects a figure that already
exists.
Force Create Creates a rectangle at the place you specify in the data
(Modifier 1) display area. This button does not select a figure.
Aspect－Ratio Creates a square instead of rectangle.
(Modifier 2)
Create Line Creates a line at the place you specify in the data display
area. Or, this button selects a line that already exists.
Force Create Creates a line at the place you specify in the data display
(Modifier 1) area.
Constrain Angle Limits the direction of a line to the eight directions:
(Modifier 2) vertical, horizontal, and oblique.

 If the mode of the Annotation mode changes, the functions of the modifier keys also
change.
 In the Annotation mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)
 The lines drawing by "Create Line" can be changed to arrows using right-click menu.
■ Molecule mode

The Molecule mode displays the structural/molecular formula on the geometry.

Button/indicator Mode Function
Create Molecule window When you create a Molecule window, this button specifies
the region to display the window. Or this button selects a
window that already exists.
Force Create When you create a Molecule window, this button specifies
(Modifier 1) the region to display the window. This button does not select
a window that already exists.
Constrain-Aspect-Ratio Creates a square Molecule window.
(Modifier 2)

 In the Molecule mode, pressing the Ctrl key changes the mode to the Select mode
(Accelerator function).

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■ PiP mode

The PiP mode selects a partial range of the spectrum and displays it in the same geometry.
Button/indicator Mode Function
Create PiP Creates a partial spectrum (PiP box) from the whole
spectrum range. Or, this button selects a PiP box that
already exists.
Force Create Creates a PiP box by specifying a range. This button does
(Modifier 1) not select a PiP box that already exists.
Constrain-Aspect-Ratio Creates a square PiP box.
(Modifier 2)

 PiP is the abbreviation of “Picture in Picture”.

 In the PiP mode, pressing the Ctrl key changes the mode to the Select mode
(Accelerator function).
 For information on operating the PiP mode, refer to Sect. 2.2.13, “PiP”.

■ Region mode

The Region mode selects a region and displays it in another geometry.

Button/indicator Mode Function
Create Region Creates a Region box by specifying a region. Or, this button
selects the Region box that already exists.
Force Create Creates a Region box by specifying a region. This button
(Modifier 1) does not select the Region box that already exists.
Constrain-Aspect-Ratio Creates a square Region box.
(Modifier 2)

 The Region mode is unavailable in 1D Processor.

 In the Region mode, pressing the Ctrl key changes the mode to the Select mode.
(Accelerator function)

■ Pick mode

The Pick mode performs the slice operation of two-dimensional data and reading of a peak
position.
Button/indicator Mode Function
Pick Position Specifies the peak position.

Snap-to-Peak-Top Specifies the peak that is nearest to the position you

(Modifier 2) specify.
Pick Area Specifies an area

Constrain-Aspect-Ratio Changes the specified area to the square area.

(Modifier 2)

 The Pick mode is unavailable in 1D Processor.

 On the Pick mode, the function of Modifier changes depending on the tool.
 The Pick mode does not have a Modifier 1 function.
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1.4 CHANGING THE DISPLAY OF A SPECTRUM

This section explains how to expand and move a spectrum. This operation uses the Zoom,
Pan, and Gain modes on the Pointer Bar.

1.4.1 Expanding a Spectrum (Zoom)

Here is the method for expanding a spectrum using the Zoom tool on the Pointer Bar.
 Short cut key to the Zoom mode: Holding down the Space key on the keyboard
changes the mode to the Zoom tool.

■ Expanding a spectrum in the Y-axis direction

1. Click the (Zoom) button.

2. Move the mouse pointer to the expansion-start point on the Y-axis ruler.
3. Hold down the left mouse button.
A horizontal line appears.
4. Drag the pointer to the expansion-end point on the Y-axis ruler, and release the
button.

The vertical range you dragged will be expanded in the Y-axis direction.

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■ Expanding a spectrum in the X-axis direction

1. Click the (Zoom) button.

2. Point to the expansion-start point on the X-axis ruler.
3. Hold down the left mouse button.
A vertical line appears.
4. Drag the pointer to the expansion-end point on the X-axis ruler, and release the
button.

The horizontal range you dragged will be expanded in the X-axis direction.

■ Expanding a spectrum in both X- and Y-axis directions

1. Click the (Zoom) button.

2. Point to the expansion-start point in the data display area.
3. Hold down the left mouse button.
A rectangle appears.
4. Drag the pointer to the expansion-end point in the data display area, and
release the button.

The area you dragged will be expanded in the X- and Y-axis directions.

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1.4.2 Moving a Spectrum

Here is the method for moving a spectrum using the Pan mode.
 A spectrum can also be moved using the arrow keys on the keyboard: ← , ↑ , → ,
and ↓ .
 You can specify the range to move the spectrum using “View Constraint Scale Factor”
in the Geometry tab of the window which displayed by selecting Options —
Prefernces in the Delta Console window.

■ Moving a spectrum in the Y-axis direction

1. Click the (Pan) button.

2. Move the pointer onto the Y-axis ruler.
3. Hold down the left mouse button.
4. Drag the pointer in the Y-axis direction.
The spectrum moves in the Y-axis direction as you drag the mouse.

5. Release the mouse button.

This stops moving the spectrum.

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■ Moving a spectrum in the X-axis direction

1. Click the (Pan) button.

2. Move the pointer onto the X-axis ruler.
3. Hold down the left mouse button.
4. Drag the pointer in the X-axis direction.
The spectrum moves in the X-axis direction as you drag the mouse.

5. Release the mouse button to stop moving the spectrum.

■ Moving a spectrum in the X- and Y-axis directions

1. Click the (Pan) button.

2. Move the pointer to the data display area.
3. Hold down the left mouse button.
4. Drag the pointer in the X- and Y-axis directions.
The spectrum moves in the X- and Y-axis directions as you drag the mouse.

5. Release the mouse button to stop moving the spectrum.

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1.4.3 Expanding or Reducing a Spectrum (Zoom + Modifier 1)

Here is the method for expanding or reducing a spectrum using the Expand function (the
Modifier 1 function in the Zoom mode).

■ Expanding or reducing a spectrum in the Y-axis direction

1. Click the (Zoom) button.

2. Press the Alt key.
The Expand function takes effect while pressing the Alt key.
3. Move the pointer onto the Y-axis ruler.
4. Hold down the left mouse button, and drag the pointer in the Y-axis direction.
The spectrum expands or reduces in the Y-axis direction as you drag the mouse. If the
pointer is above or below the position you clicked, the spectrum is expanded or reduced.

Expansion

Reduction

5. Release the mouse button.

The Expand function (expanding or reducing the spectrum) ends.

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■ Expansion and reduction of a spectrum in the X-axis direction

1. Click the (Zoom) button.

2. Press the Alt key.
The Expand function takes effect while pressing the Alt key.
3. Move the pointer onto the X ruler.
4. Hold down the left mouse button, and drag the pointer in the X-axis direction.
The spectrum expands or reduces in the X-axis direction as you drag the mouse. If the
pointer is at the right or left of the position you clicked, the spectrum is expanded or
reduced.

Reduced Expanded

5. Release the mouse button.

The Expand function (expanding or reducing the spectrum) ends.

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■ Expansion and reduction of a spectrum in the X- and Y-axis directions

1. Click the (Zoom) button.

2. Press the Alt key.
The Expand function becomes active while you press the Alt key.
3. Move the pointer to the data display area.
4. Press and hold the left mouse button, and drag the pointer in the X- and Y-axis
directions.
The spectrum expands and reduces in the X- and Y-axis directions as you drag the
mouse, around the position you clicked.

Expansion

Reduction

5. Release the mouse button.

The Expand function (expanding or reducing the spectrum) ends.

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1.4.4 Changing the Y-Axis Gain

Here is the method for changing the Y-axis gain using the Gain mode.

■ Changing the Y-axis gain of a spectrum

1. Click the (Gain) button.

2. Hold down the left mouse button.
3. Drag the pointer in the Y-axis direction.
The Y-axis gain of the spectrum increases or decreases as you drag the mouse.
The rate of changing the Y-axis gain depends on the position you click the data
display area. If the point is in the left portion of the data display area, the rate will be
small, and if the point is in the right portion of the data display area, the rate will be
large.

Gain increase

Gain decrease

4. Release the mouse button.

The function to change the Y-axis gain ends.

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1.5 PROCESS LIST

In the Delta program, the process list plays a fundamental role when processing the data.
This section explains process list in the 1D Processor window mainly.
 The process list in the nD Processor window has some difference from that of 1D
Processor window. Refer to the “█ In the nD Processor window” in the following
sections and Sect. 3.1, “nD PROCESSOR WINDOW”.

1.5.1 Process List

The process list contains the information on the items and conditions of the processes. The
processes are listed in the order of the processes to be carried out.

Process list

Fig. 1.5 Process list in the 1D Processor window

Process list Process list

in X-axis in Y-axis

Fig. 1.6 Process list in the nD Processor window

The process list, in which contents of standard data processing are described for typical
measurement data, is supplied. This process list is called the “standard process list”.
The standard process list is saved in the Global Process List directory.

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Moreover, the standard process list suiting the measurement is set to a typical measurement
sequence. When measurement was complete, data will upload to a workstation, standard
processing set up will be performed automatically.
Thus, fundamental data processing for Delta will perform the process list set up. Moreover,
changing the data processing conditions described in the process list will perform a change
of the processing conditions.
The processing contents can be changed, or the newly created process list can also be saved
to a file as another process list. When performing data processing with the same conditions,
processing becomes possible by an easy operation that reads the purposed process list.
In the 1D Processor window, click the Processing button at the right side of the window to
show or hide the process list.

In the nD Processor window, click the button to display the process list.
 For handling of the process list in the nD Processor window, refer to Sect. 3.1, “nD
PROCESSOR WINDOW”.

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1.5.2 Process List Composition

1.5.2a Process list
The process list in the 1D Processor window lists the processes done to the data that is
displayed in the input window. The result appears in the output window.

Input
window

Output
window

Fig. 1.7 1D Processor window

In the above figure, the FID shown in the input window is processed according to each
process in the process list, such as FFT and phase correction, and the result is displayed in
the output window.
Automatic process
Load
Step process
Save
Process Append
Hide the expanded
parameter areas Change
Show the expanded Insert
parameter areas
Parameter area

Delete

Cut Restore

Paste Clear

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1.5.2b Process control buttons

This section explains the process control buttons in the process list of 1D Processor.
 Although the process control buttons in nD Processor are fundamentally the same as
those in 1D Processor, there is a slight difference.
 For detail, refer to the “█ In the nD Processor window” in the following sections.
Button Name Function
Process Processes the data in the input window according to the
process list. The result appears in the output window. If you
have changed the process in the process list, click this button
to process the data again according to the new process list.
Step Process Every time you click this button, the program executes a
process in the process list. Click this button if you want to
process the processes in the process list one after one.
Auto Process Automatically processes the data in the input window
according to the process list. After addition or deletion of the
processes, the program automatically processes the data again
according to the new process list.
If the process list is complicated, the processing may take time
because the CPU becomes busy.
Hide the expanded Hides the parameter area for all processes.
parameter areas
Show the expanded Displays the parameter area for all processes.
parameter areas
Append Appends a process you specify to the process list. The process
is appended to the last of the process list.
Insert Inserts a process you specify into the process list. The process
is inserted before the highlighted process.
Change When adding a process from the pull down menu, the selected
(highlighted) process is deleted, and the process selected from
the pull down menu replaces it.
Cut Removes the highlighted process. The removed process is
stored in the cut buffer.
Paste Pastes the process stored in the cut buffer. The process is
pasted before the highlighted process.
Delete Deletes the highlighted process. The deleted process is not
stored in the cut buffer.
Clear Clears all processes in the process list.

Restore Restore the process list saved in the data file.

 You can use both Cut and Paste buttons only in the same process list window.
 In the 1D Processor window, the display/phase process is always the last process in
the process list, and you cannot delete it.

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1.5.3 Creating and Editing a Process List

1.5.3a Appending a process to the process list
■ In the 1D Processor window

1. In the 1D Processor window, click the button to enter the Append mode.
2. Select the process that you want to append using the tool bar or the menu bar.
The process you select is appended before display/phase.

■ In the nD Processor window

We explain the method by using two-dimensional NMR data as an example.

1. Click the button in the nD Processor window to enter the Append mode.
2. Click the process list column of the axis to which you want to append the
process.
Click the process list column of the axis
to which you want to append.

3. Select the process you want to append using the tool bar or the menu bar.
The process you select is appended before transpose.

1.5.3b Inserting a process in the process list

1. Click the button in the 1D Processor or nD Processor window to enter the
Insert mode.
2. In the process list, click the process directly above which you will insert the new
process.
3. Select the desired process using the tool bar or menu bar.
This inserts the process you selected before the process you clicked in step 2.
4. Change the values of the parameters if necessary.
 For detailed, refer to Sect.1.5.3f, “Changing the process parameters”.

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1.5.3c Replacing a process in the process list

1. Click the button in the 1D Processor or nD Processor window to enter the
Change mode.
2. Click the process you want to replace in the process list.
3. Select the process with which you want to replace the process using the tool
bar or the menu.
The process you clicked in step 2 is replaced with the process selected in step 3.
4. Change the values of the parameters if necessary.
 For detailed, refer to Sect.1.5.3f, “Changing the process parameters”.

1.5.3d Moving the process

■ In the 1D Processor window

1. In the process list, select the process you want to move.

2. Click the button.
This cuts the selected process.
3. In the process list, click the process directly above which you will move the
process.
4. Click the button.
This inserts the process you are moving before the process you selected in step 3.

1.5.3e Deleting the process you select

1. In the process list, click the process you want to delete.
2. Click the button.
This deletes the process you clicked.

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1.5.3f Changing the process parameters

This section explains how to change the parameter used in the process.

■ In the 1D Processor window

1. In the process list, click the button in the left of the process whose
parameter you want to change.
The parameter and its value used in the selected process are displayed on the
parameter display box or the check box under the process list display area.
Clicking the button shows all the processes.

Click the
button to
show its
process.

Window when the processes are not displayed

Parameter
box

Check
box

Window when the processes are displayed

2. Change the parameter by entering the parameter box and selecting or clearing
the check box.

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■ nD Processor window

We explain the method by using two-dimensional NMR data as an example.

1. In the process list, click the button in the left of the process whose
parameter you want to change.
The parameter and its value used in the selected process are displayed on the
parameter display box or the check box under the process list display area.
Clicking the button shows all the processes of the selected axis.

Click the
button to
show its
process.

Window when the processes are not displayed

Parameter
box
Check
box

Window when the processes are not displayed

2. Change the parameter by entering the parameter box and selecting or clearing
the check boxes.

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1.5.4 Deleting All the Processes

■ In the 1D Processor window

 Click the button.

This deletes all processes other than display/phase.

■ In the nD Processor window

We explain the method by using two-dimensional NMR data as an example.

1. Click the process list column of the axis from which you want to delete the
process.
Click the process list column of the axis
from which you want to delete.

2. Click the button.

This deletes all processes other than transpose.
3. Repeat steps 1 and 2 for the other axis if necessary.
This program cannot delete the process lists of all axes at the same time. You must
delete each process list of each axis.

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1.5.5 Loading the Process List File

Either of the following methods will load the process list.
• Loading the process list file from the hard disk.
• Loading the process list file from another window on the screen.

1.5.5a Loading the process list file from the hard disk
1. Click the button.

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The “Open Processing List” window opens.

Fig. 1.8 “Open Processing List” window

2. In the processing list, select the process list that you want to load.
3. The button appears at the right side of the window. Then, click the
button.
The program loads the process list you selected.

1.5.5b Loading the process list file from another window on the screen
 After right-clicking the process list file in another window, drag and drop it to the
process list display area where you want to paste it.
If you do not quickly drag and drop the process list file after you right-click it, the
context menu may appear so that you cannot copy the file.

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1.5.6 Saving the Process List

1. Click the button.

The “Save Processing List” window opens.

2. Enter the filename in the filename box.

Filename box

3. Click the button.

The program saves the process list in the file with the name in the filename box.

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1.5.7 Executing the Process List

■ In the 1D Processor window

 Click the button.

While the program executes the process list, the letter “Abort” appears on the
button.
The program processes the data according to the process list, and displays the resultant
spectrum in the data display area.
● Reference: Checking if the program has finished executing the process
list
If display/phase at the end of the process list is shown in green, all the processing in the
process list has finished.

If you click the button, the program shows the process that has just finished in
bright green, and shows its spectrum.

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 If all the processing in the process list has finished, this function does not work.
■ In the nD Processor window

 Click one of the three buttons in the following figure.

Button Name Function

Process File and When the measurement data is two-dimensional
Put in 2D Phaser phase-sensitive detection data, the program opens the Phase
2D window after processing the data according to the
process list.
Process File and The program opens the Data Slate window after processing
Put In Data Slate the data according to the process list.
Process File and The program opens the 2D Viewer window after processing
Put In Data Viewer the data according to the process list.

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1.6 LOADING AND SAVING DATA

1.6.1 Loading a Data File
The program loads the data file into one of the following windows.
• Data Processor window (1D Processor/ nD Processor windows)
• Data Slate window
• Data Viewer window (2D Viewer/ 3D Viewer windows)
1.6.1a Loading a data file to the window which automatically selected
1. In the Delta Console window, click the button.

The File Browser window opens.

Version display
box

File list

Data information
box

Fig. 1.9 File Browser window

2. Select a file in the file list and specify the version in the version display box.
The information of the file is displayed in the data information box. Verify the file you
are loading is the correct one.

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Unit for time/frequency domain

s: Time domain data (FID data)
Hz， ppm: Frequency domain data (Fourier-transformation data)
Number of File size Data array Author
data points R: Ranged
S: Sparse
1D/2D/3D

Revision_time

Comment Sample ID Creation_time

3. Click the button.

Corresponding to the selected file, the following window opens.
• If the data is one-dimensional: 1D Processor window
• If the data is multiple-dimensional: nD Processor window
• If the data are processed one-dimensional data: Data Slate window
• If the data are processed multiple-dimensional data: Data Viewer window

 If you want to specify the window to load the data, refer to Sect. 1.6.1b.
■ Version number

Delta supports the versions of the data files.

An entire filename consists of a filename (specified at the measurement), a hyphen (-),
version number, and an extension (.jdf) in this order.
If the same filename already exists, a hyphen (-), group number, a hyphen (-), version
number, and an extension (.jdf) are added behind the filename in this order.

Single_pulse – 1 – 1 . jdf

The filename specified Group number Version number Extension

at the time of measurement

Before processing the data set, the program automatically makes a data file of a version
different from the original one with the same filename, and then processes the data set. The
original data set are not processed, preventing corruption of the original FID data.
When you save the data with the same filename, the version number increments by one. If
you delete data files after processing them, the version numbers in the list becomes
discontinuous.
If you save data with the existing filename, the data are given a version number higher by
one. Copied data are sometimes deleted after they are processed. Therefore, some of the
version numbers in the file list are usually omitted.
 If you do not specify the version number of the file in the File Browser window, the
program loads the data of the latest version (data with the largest version number).
 In the File Browser window, the parts till the group number are displayed as a filename.

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■ Directory

You can specify two directories in the File Browser window using the buttons. One is a
data directory. The other is a global directory.
Normally, the user uses the data directory. The global directory is read-only.
Clicking the button displays a list of the files in the data directory to the file list
box in the File Browser window.
 The data directory is specified in the Data in the Directory tab of the window which
opens by selecting Options — Preferences in the Delta Console window.

1.6.1b Loading a data file to the specified window

In the File Browser window, click the data file you want to load, and click one of the
following buttons to load the data to the corresponding window.
Button Description
The program automatically selects the window to load the data.

The program opens the 1D Processor window, and loads the data.
(This button is unavailable if the data are multiple-dimensional.)
The program opens the nD Processor window, and loads the data.
(This button is not displayed if the data are one-dimensional.)
The program opens the Data Slate window, and loads the data.

The program opens the Data Viewer window, and loads the data.
(This button is not displayed if the data are one-dimensional.)
The program opens the Data Slicer window, and loads the data.
(This button is not displayed if the data is one-dimensional.)
The program opens the File Information window, and displays the parameters
for the data (NMR data is not displayed).
The program closes the File Browser window.

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1.6.1c Searching for data

Use the File Search window to search for the measured or processed data. The window can
search for the data using various searching conditions.

■ Searching for

1. In the Delta Console window, select File — File Search.

The File Search window appears.

Fig. 1.10 File Search window

2. Specify a directory to search file.

Click the button in the File Search window to select a directory to search file.

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3. Select the items for the searching condition.

You can specify the items to search for, such as date, filename, data size, number of
dimensions, processed or not processed, and parameters. You can specify multiple
items for the searching condition.

4. Click the button.

The search result is displayed.

 If you want to stop searching for files at any time, click the button that
appears during the search for the files.

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5. Click the file you want to open.

The processing buttons appear at the right side of the window.

Button Function
Returns the File Search window to the state for specifying the file search
conditions.
Shows parameters for the file in the File Information window.

Opens the file in the 1D Processor window.

Opens the file in the nD Processor window.

Opens the file in the Data Slate window.

Opens the file in the Data Viewer window.

6. Click the processing button that you want to process.

The program opens the window that corresponds to the button you clicked.

■ Search conditions

● Date

The program searches for files using the time stamp attached to the file. There are three
time stamps: for the operating system ( ), file creation date ( ), and file revision date
( ).
The above figure searches for the data files created before February 13, 2009.

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● Filename

The program searches for files with the name you specify here. The wild card (*) is
available.
This example searches for the data files that contain “str” in their filenames.
● Data size

The program searches for files that have the number of points you specify here.
This example searches for the data files in which the number of points is greater than 5000
in the x-axis.
● Number of dimensions

The program searches for files that have the number of dimensions you specify here.
This example searches for the data files in which the number of dimensions is greater than 2.
● Processed or not processed

The program searches for the files that are processed, or the files that are not processed
(measurement data (FID)).
If the “Match Processed files only” is not selected, the program searches for only the data
files of the measurement data (FID).
● Parameter

The program searches for the files that have the parameter you specify here.
The parameter may be any of the parameters that are saved in the files of the Delta program,
such as number of accumulations, and kind of solvent.

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1.6.2 Saving NMR Data

This section explains how to save the data file.

1.6.2a Saving measurement data

The program automatically saves the measurement data (FID) with the filename in the
storage_filename box in the Experiment Tool panel.

Filename

Fig. 1.11 Experiment Tool panel

If you measure without renaming the filename in the storage_filename box, the program
saves the measurement data (FID) with the same filename and the group number
incremented by one.


If you want to change the filename after measurement, refer to the Sect. 1.6.2b.
The program saves the measurement data to the local data directory, usually, in the
directory ~/JEOL/data.

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1.6.2b Saving processed data

■ Saving 1D NMR data in the 1D Processor window

● Saving the data with the same filename

 In the 1D Processor window, click the button.

The program saves the 1D processed data with the same filename and the version
number incremented by one.
● Saving the data with a different filename

1. In the 1D Processor window, select File — Save As.

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The “Save Data File” window appears.

Filename box

Fig. 1.12 “Save Data File” window

2. Enter a filename in the Filename box.
3. Click the button.
The program saves the 1D processed data with the filename you typed.

■ Saving 2D NMR data in the 2D Viewer window

● Saving the data with the same filename

 In the 2D Viewer window, click the button.

The program saves the 2D processed data with the same filename and the version
number incremented by one.

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● Saving the data with a different filename.

1. In the 2D Viewer window, select File — Save — Save As.

The “Save File for Data Slate” window opens.

Filename box

2. Enter an arbitrary filename in the Filename box.

3. Click the button.
The program saves the 2D processed data with the filename you typed.

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1.7 CONVERSION OF NMR DATA

The Delta program can convert the data format. Here, we explain the method for importing
data made by a program other than the Delta program, and exporting the data of Delta to a
program other than Delta.

1.7.1 Data Formats Supported by Delta

The following table shows the formats that the DELTA program supports. It also shows the
limits of its conversion ability.
Generic Generic Felix NMR
To Form Delta GX Alice Nuts Galactic Felix JCAMP SIMPSON
Bin/Int ASCII (Win) Pipe

Delta ― 1 1 2 1 4 4 4 3 2 1 4
GX/GSX/EX 1 ― 1 1 1 4 4 4 3 4 1 4
GX 2D
Phase
5 ― 5 5 ― 5 5 5 3 5 5 5

ALPHA 6 1 1 6 1 4 4 4 3 7 1 4
Lambda 1 1 1 1 1 4 4 4 3 4 1 4
Alice 1 1 ― 1 1 4 4 4 3 4 1 4
Generic 2 1 1 ― ― 4 4 4 3 2 1 4
CMX 6 1 1 1 4 4 4 4 3 4 4 4
Nuts 4 4 4 4 4 ― 4 4 3 4 4 4
VXR/Unity 7 4 4 4 4 4 4 4 3 7 4 4
AC 8 8 8 8 4 8 8 8 3 8 8 4
AMX/DMX 2 1 1 2 1 4 4 4 3 4 4 4
Galactic 4 4 4 4 4 4 ― 4 3 4 4 4
Felix 4 4 4 4 4 4 4 ― 3 4 4 4
Felix(Win) 3 3 3 3 3 3 3 3 ― 3 3 3
JCAMP 4 4 4 4 4 4 4 4 3 4 ― 4
SIMPSON 4 4 4 4 4 4 4 4 3 4 4 ―

The following table explains the conversion conditions for the numbers in the above table.
Number Conversion condition
1 1D, 2D (Absolute/Phase sensitive mode), Relaxation time
2 1D-4D
3 1D Only
4 1D, 2D (Absolute/Phase sensitive mode)
5 2D Phase sensitive mode
6 1D, 2D (Absolute/Phase sensitive mode), 3D (Absolute/Phase sensitive mode)，
Relaxation time
7 1D, 2D (Absolute/Phase sensitive mode), 3D (Absolute/Phase sensitive mode)
8 1D, 2D (Absolute)

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1.7.2 Importing Data

The program automatically imports a data file at the same time as when it is being loaded.
Here is an example that imports and processes a 1D NMR data file of the ALPHA program.
1. In the Delta Console window, click the button.

The File Browser window appears.

2. Select the directory that has the data file you want to import.
3. Select the file in the file list.
 No information appears in the data information box.
4. Click the button.
The program automatically imports the data file, and then opens the 1D Processor
window.
 Since there is no information on the process list, the process list is not set
automatically.

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1.7.3 Exporting Data

The program automatically exports a data file at the same time as when it is being saved.
Here is an example that exports a 1D NMR data file to Alice, and saves it there.
1. In the 1D Processor window, select File — Save As.

The “Save Data File” window opens.

Filename box

Fig. 1.13 “Save Data File” window

2. Select File — Export Format — JEOL：Alice.
3. Select the directory where you want to save the data file.
4. Enter an arbitrary filename in the Filename box.
5. Click the button.
The program automatically exports the data file, and saves the file in Alice.

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2
PROCESSING
2.1 1D PROCESSOR WINDOW......................................................... 2-1
2.2 1D DATA PROCESSING............................................................... 2-5
2.2.1 Canceling the DC Offset ................................................................ 2-5
2.2.2 Zero-Filling .................................................................................... 2-6
2.2.3 Window Function ........................................................................... 2-7
2.2.3a Setting the window function ..................................................... 2-7
2.2.3b Changing the parameters to use for the window function......... 2-8
2.2.3c Changing the window function ................................................. 2-9
2.2.3d Setting multiple window functions ......................................... 2-10
2.2.4 Fast-Fourier Transformation ......................................................... 2-11
2.2.5 Phase Correction .......................................................................... 2-12
2.2.5a Automatic phase correction .................................................... 2-12
2.2.5b Manual phase correction ......................................................... 2-12
2.2.6 Baseline Correction ...................................................................... 2-15
2.2.6a Automatic baseline correction ................................................ 2-15
2.2.6b Manual baseline correction ..................................................... 2-15
2.2.7 Unit for Axis ................................................................................ 2-18
2.2.8 Setting a Reference....................................................................... 2-18
2.2.8a Setting the reference using the pointer bar.............................. 2-18
2.2.8b Setting the reference using the Reference command .............. 2-19
2.2.9 Peak Detection.............................................................................. 2-20
2.2.9a Automatic peak detection........................................................ 2-20
2.2.9b Manual peak detection ............................................................ 2-23
2.2.10 Integration .................................................................................... 2-26
2.2.10a Automatic integration ............................................................. 2-26
2.2.10b Manual integration .................................................................. 2-26
2.2.11 Transfer Integral Tool Window ..................................................... 2-30
2.2.12 Comment ...................................................................................... 2-31
2.2.13 PiP （Picture in Picture） ............................................................... 2-34
2.2.14 Setting Display Range of Spectrum ............................................. 2-35
2.2.15 Printing ......................................................................................... 2-37
2.3 DECONVOLUTION..................................................................... 2-38
 2 1D NMR DATA PROCESSING

2.1 1D PROCESSOR WINDOW

In one-dimensional NMR data processing, the 1D Processor window usually opens
automatically when the program loads a data file. You can process the data in this window.
Title bar Menu bar Tool bar/tool buttons Process-switch tabs

Macro buttons
Panel-display
Input switch buttons
FID display
area

Output
Process
list

Phasing Tools
panel

Processed data display area

The name of the data file is on the title bar of the 1D Processor window.
This window has two display areas. The upper display area is the input domain for
displaying the measurement data (FID: Free Induction Decay) before Fourier transformation.
The lower display area is the output domain for displaying data after processing. This
window also displays a process list that relates the two data. At the bottom right of the
window, buttons and boxes for phase correction appears.
You can display or hide the Processing Tools panel and the Phasing Tools panel by
clicking the panel-display switch buttons at the right side of the window.

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2 1D NMR DATA PROCESSING

■ Tool bar

The 1D Processor window in the extended mode has the tool bar. Its buttons are for loading
data files, storing processed data files, printing the data, and automatic processing of the data.
Button Name Function
Load Data from Disk Loads a data file to the hard disk.

Finger Loads a data file that is in the other window on the screen.
The following example loads a data file from window B to
window A:
In window A, click the button, click the button to
change the pointer to a finger, move the pointer to the window
B and click the data to move it. This function is the reverse of
cut-and-paste.
Open File Loads a data into the 1D Processor window that is presently
open. If the process list is already set, it is automatically
applied to the loaded data.
Open Clear Loads a data into the 1D Processor window that is presently
open. The previous process list is deleted when the data is
loaded.
Put Processed Data Transfers a data in the 1D Processor window that is presently
into Data Slate open to the Data Slate window.
Save Processed Data Saves a processed data to the hard disk with the same file
to Disk name and the version number incremented by one.
Print Prints a processed data.

Generate Report Prints the spreadsheet that includes all peak information.

Auto Peak Pick Performs automatic peak picking.

Auto Integration Performs automatic integration.

Peak Pick and Performs automatic peak picking and integration.

Integrate
Computed and Show Calculates statistics for the data, including threshold level,
Statistics noise, baseline level, and maximum and minimum peak
intensities.
Auto Phase Spectrum Performs automatic spectrum correction.

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■ Macro buttons

Each of the macro buttons has a default function. You can modify the function, or you can
assign a different macro function to the button so that it suits your needs.
Button Name Function
DC Balance Eliminates zero-frequency noise produced by any shift in the
balance of the AD converter.
Window Function Applies the Hamming and trapezoid window functions to FID
data.
FFT Performs Fast-Fourier transformation (FFT). FFT transforms a
time-domain data to a frequency-domain data.
Auto Phase Performs phase correction. The Machine Phase function is
assigned to this button.
Base Correct Performs baseline correction to the frequency domain
spectrum.
Abs Calculates the absolute value of the data.

PPM Changes the unit of the data axis to ppm. You can replace the
function of this button to Hertz, or Auto Reference.
Peak Pick/Integrate Performs peak picking and integration.

Plot Spectrum Prints the spectrum and the parameters.

Proton This is a user-defined macro button. This contains processes of

DC Balance，Single Exponential，Trapezoid，FFT，Machine
Phase，and PPM in default.
Carbon This is a user-defined macro button. This contains processes of
DC Balance，Single Exponential，Trapezoid，FFT，Machine
Phase，and PPM in default.

■ Assigning different function to the macro button

You can assign a different function to the macro button.

1. In the 1D Processor window, set the process list so that it performs the data
processing that you want.
2. Using the right mouse button, drag the data process list to the macro button to
which you want to assign the function that the data process list contains.
The function of the macro button is replaced with the function that the data process list
contains. To verify the function of the macro button, right-click the button to display
Help.

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2 1D NMR DATA PROCESSING

■ Setting the macro button to the default function

You can set the macro button to the default function using the Macros tab of the Processing
Tools panel.

1. In the 1D Processor window, click the Macro tab of the Processing Tools panel.
The Macros tab opens.
Process-switch tabs

Restore default
macros button

2. Click button.
The program changes the macro function of the button to its default function. Clicking
the button at the bottom right changes functions of all buttons to their default
functions.

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2.2 1D DATA PROCESSING

Data processing for one-dimensional NMR data is roughly divided into the following five
steps.
• Pre processing before FFT
• Multiplication using window function
• FFT
• Post processing after FFT
• Data display.
The processing is sorted into the five menus in the 1D Processor window: PreTransform,
Window, Transform, PostTransform, and Display. You can process the data using the
menus.

2.2.1 Canceling the DC Offset

The DC balance function calculates the difference between the DC offsets (constants) of
the real and imaginary channels of the detector, and cancels it. Presence of DC offset
generates noise that is called “center spike” or “zero-frequency noise” in the
Fourier-transformed data.
 In the 1D Processor window, select PreTransform — DC Balance.

The program adds dc_balance to the process list.

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2.2.2 Zero-Filling
The Zerofill function increases the number of data points by adding a specified number of
zeros after the original data. Since the data of every dimension must have data points of the
number to the nth power of 2, the number of zeros you add must be an nth power of 2, such
as 1, 2, 4, 8, and 16. If you enter a numerical value that is not an nth power of 2, the
numerical value of the power of 2 larger than the entered value will be applied.
 If you set Power_2 to FALSE, it becomes possible to analyze the data having a
number of points that is not an nth power of 2.

1. In the 1D Processor window, click PreTransform — Zerofill.

The program adds zerofill to the process list.

In zero filling, one process has one argument, and it appears in the Times box.

2. Input the data magnification.

 If the Times box has 1, zero filling is not performed to the data.

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2.2.3 Window Function

Multiplying the data by a window function emphasizes the features, such as resolution and
increasing signal-to-noise ratio.

2.2.3a Setting a window function

1. Select arbitrary window functions from Window in the 1D Processor menu bar.

The program adds the window function to the process list.

A window function has some arguments. Clicking the at the left of the process
name displays the arguments.
2. Enter a parameter in the parameter boxes.

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2.2.3b Changing the parameters for the window function

1. In the process list, click the at the left of the window function.
The parameter box appears under the window function.

2. Enter numerical value to change the parameter for the displayed window
function.
3. Click the button.
The window function appears in the FID display area.
The program processes the spectrum using the new parameter of the window function,
and displays the processed spectrum in the processed data display area.
4. Verify the change of the processed spectrum.
5. Repeat steps 2 to 4, and find the optimum value for the parameter.

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2.2.3c Changing the window function

1. Select the window function from the process list.

The window function in the process list is highlighted.

2. Click the (Change) button.
3. Select a desired window function from the Window menu on the menu bar.
The program replaces the highlighted window function with the window function you
selected.
4. Click the button.
The program processes the spectrum using the new window function, and displays the
processed spectrum in the processed data display area.
Change the parameter values of the selected window function, if necessary.

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2.2.3d Setting multiple window functions

You can set multiple window functions. Set the functions separately. The program applies
each of the window functions to the input data one by one, and obtains the output data.

1. In the process list, click the window function.

The window function is highlighted.

2. Click the (Insert) button.
3. Select the desired window function from the Window menu in the menu bar.
The program inserts the selected window function above the window function selected
in step 1..
4. Click the button.
The program processes the spectrum using the window functions in the process list,
and displays the reprocessed spectrum in the processed-data display area.
If necessary, change the parameter settings for the window function.

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2.2.4 Fast-Fourier Transformation

The Fast-Fourier transformation (FFT) transforms the data in the time axis to that in the
frequency axis.
1. Select Transform — FFT from the menu bar in the 1D Processor window.

The fft process is added to the process list.

The FFT process has one argument that is displayed in the Scale input box. This
argument corrects the start point of FID. If the data is one-dimensional, normally type
1 in the box.
2. If necessary, change the following two flags used in the FFT calculation.
Clip: When the program calculates FFT on a data that is obtained using
digital filters, the program performs a clipping procedure. Normally set
this to TRUE. This flag is ignored if the data file has not been obtained
using digital filters.
Norm: The flag Norm normalizes the signal intensity. Normally set this to
TRUE.

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2.2.5 Phase Correction

This corrects phase distortion of the spectrum after FFT. Both automatic and manual phase
corrections are provided.

2.2.5a Automatic phase correction

Two automatic phase corrections are provided: Machine Phase and Automatic Phase.
• Machine Phase calculates the P1 phase by taking the measurement conditions into
account. This method can correct the P1 phase with high accuracy independently of
the line shape of the spectrum peak. This method supports only the pulse sequences
for a Single Pulse.
• Automatic Phase corrects the phase by taking the line shape of the spectrum peak
into account. This method widely supports the generally used pulse sequences, but
accuracy of the phase correction depends on the line shape and the baseline of the
peak.
 In the 1D Processor window, select PostTransform — Phase — Machine
Phase or PostTransform — Phase — Automatic Phase.
Automatic Phase correction is set in the process list.
 Also, clicking the (Machine phase) button in the 1D Processor window sets
the Machine phase process in the process list.

2.2.5b Manual phase correction

You can manually correct the zero- and first-order phases.
There are two kinds of correction methods: changing values in the phase parameter box,
and using the Pointer Bar.

■ Correcting phase using the Phasing Tools panel

1. Verify that all the processes in the process list are complete.
Verify that display/phase at the end of the process list is green. If it is not green, click
the button to complete the all processes in the process list.
2. Set the phase reference position.
a. Click the button on the pointer bar to select Phase mode.
b. In the processed-data display area, drag and drop the pivot-point line (Fig. 2.1)
or click the X-axis ruler area to change the phase-reference position.
The pick-position marker appears at the position where you dragged the pivot point
line, or you clicked the X-axis ruler area.
The information on the position of the pick-position marker appears at the right of Φp
in the Phasing Tools panel.

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Pivot-point line

Fig. 2.1 Pivot-point line

 The pivot-point line appears only in the Phase mode.
 Usually set the pick-position to the biggest peak in the spectrum. However, do
not set it to the peak that is near the ends of the spectrum.
3. Correct the zero-order phase parameter (P0).
a. Click the button on the pointer bar to select Zoom mode.
b. Expand the maximum peak that is marked by the pick-position marker in the
X-axis direction.
c. Change the value of Φ0 by clicking the arrow buttons of Φ0 to adjust the phase
of the peak marked by the pick-position marker.
d. Press the Home key to reset the expansion in the X-axis direction.
4. Correct the first-order phase parameter (P1).
a. Expand a peak that is apart from the maximum peak marked by the
pick-position marker in the X-axis direction.
b. Change the value of Φ1 by clicking the arrow buttons of Φ1 to adjust the phase
of the peak.
c. Press the Home key to reset the expansion in the X-axis direction.
5. Verify that the phase is corrected well.
Repeat steps 3 to 5 if the phase is not corrected well.
 The above procedure sets the phase correction values in the process list, and the
phase correction has not been carried out yet. The spectrum is displayed just for
phase correcting.
6. Click the button.
The program performs all the processes in the process list, and stores the phase
information.

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2 1D NMR DATA PROCESSING

■ Phase correction using the pointer bar

1. Verify that the processing in the process list is complete.

Verify that display/phase at the end of the process list appears green. If it is not green,
click the button to complete the all processes in the process list.
2. Specify the phase-reference position.
a. Click the button on the pointer bar to select the Phase mode.
b. In the processed-data display area, drag and drop the pivot-point line (Fig. 2.1)
or click the X Ruler area to specify the phase-reference position.
The pick-position marker appears at the position you specify.
3. Correct the zero-order phase parameter (P0).
a. Point to the processed-data display area, hold down the left button of the
mouse, and drag the pointer to the right and left to adjust the phase at the
position of the maximum peak.
If you hold down the mouse button on far from the baseline, the phase changes widely
when you drag the pointer. If you hold down the mouse button on near the baseline,
the phase changes finely when you drag the pointer.
4. Correct the first-order phase parameter (P1).
a. Hold down the Alt key, point to the processed-data display area, hold down
the left button of the mouse, and drag the pointer to the right and left to adjust
the phase.
While you are holding down the Alt key, you can correct the first-order phase
parameter.
5. Verify that the phase is corrected well.
If the phase is not corrected yet, repeat steps 3 and 4.
6. Click the button.
The program performs all the processes in the process list, and stores the phase
information.

■ When the process list has multiple phase processes

When the process list has multiple phase processes, the program adds the P0 and P1 values
in the phase processes.

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2.2.6 Baseline Correction

After correcting the phase, if the baseline of the NMR spectrum appears distorted, perform
baseline correction.
Automatic and manual baseline corrections are provided.

2.2.6a Automatic baseline correction

 In the 1D Processor window, select PostTransform — Baseline Correction
— Base Correct, or click the button.
The baseline-correction process is added to the process list. Clicking the button
to corrects the baseline.

2.2.6b Manual baseline correction

1. In the 1D Processor window, select PostTransform — Baseline Correction
— Base Correct (Interactive).
The baseline-correction process is added to the process list.

2. Click the button.

The iBase Correct window appears.

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2 1D NMR DATA PROCESSING

3. Specify the approximation method for the baseline distortion in the Fit box.
The following four approximations are provided.
Approximation Description
Polynomial Approximates the baseline distortion using a polynomial equation.
Trigonometric Approximates the baseline distortion using a trigonometric function.
Piecewise Linear Approximates the baseline distortion using a line graph.
Akima Approximates the baseline distortion using the Akima method.

4. Enter values in the Order and Ave.Points boxes for the approximation method
in step 3.
5. Click the button on the pointer bar to select Cursor mode.
6. Move the mouse pointer to the processed data area in the iBase Correct
window, and click multiple points where there is no peak in the spectrum.
Baseline-point markers appear to show the points where you clicked.

7. Click the button.

The baseline corrected spectrum appears.
Furthermore, if you want to add or delete the base points, click the button to
return to the original spectrum.
You can specify up to 32 baseline points at a time. If more points are required, repeat
the baseline-correction procedure multiple times.
If the spectrum has a low SN ratio, the base point at the position you specify may be
affected by noise. If this happens, enter the number of data points (averaging data
points around the base point) for calculating the intensity of the base point in the Ave.
Points box. For example, if you enter 20, the program averages the intensity of the 20
base points adjacent to the point you clicked. The average is used as the position of the
base point.
If Option — End-Points has been selected in the menu, both end points of the
spectrum are automatically included as baseline points.
8. Click the button.
The program corrects the baseline.
This closes the iBase Correct window, and displays the spectrum after correcting the
baseline in the processed data display area of the 1D Processor window.

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 2 1D NMR DATA PROCESSING

■ Other functions in the iBase Correct window

● Checking the calculated baseline

 In the iBase Correct window, select Option — Show Curve.
The calculated baseline appears.

Calculated
baseline

● Clearing the baseline point

1. Click the button on the pointer bar to select Select mode.

2. Click the baseline-point marker that you want to clear, and press the
Delete key.
The program clears the baseline-point marker you clicked.
You can also select the point marker in the Cursor mode.
● Clearing all the baseline points
 Click the button.
All the baseline-point markers are cleared.
● Moving the baseline point

1. Click the button on the pointer bar to select Select mode.

2. Hold down the left mouse button on the baseline-point marker that you want to
move.
3. Drag the pointer to the position you want to move it.
The program moves the base-point marker to the position where you dragged the
pointer.
You can also move the base-point marker in the Cursor mode.

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2 1D NMR DATA PROCESSING

2.2.7 Unit for Axis

The axis of a NMR spectrum can be displayed in different units. Just after an FFT
calculation, the processed spectrum appears in Hertz. You can change the unit to ppm
(parts per million) using either of the following methods.
When you click the button, the program changes the basic unit of the axis of the data
file. In contrast, when you use Display Units command, the program temporarily changes
the unit for display. Therefore, when you open the data file next time, the data appears in
the original basic unit.
● PPM button
 Click the button.
The PPM command is inserted in the process list.
● Display Units command
 Select Display Units — ppm in the pop-up menu.

2.2.8 Reference Setting

Setting a reference on the NMR spectrum is important to obtain an exact chemical shift.
The standard Delta program adopts the Native scale that determines the reference position
using the gamma ratio and the magnetic-field strength.
It is also possible to set the reference position correctly on the basis of the reference peak,
such as TMS.
You can set the reference using the following two methods.
• By using the Reference mode on the pointer bar
• By using the Reference command

2.2.8a Setting the reference using the pointer bar

1. Click the button to select Reference mode.
2. In the Options panel, enter the reference value in the X Ref box.

X Ref box

 If the Options panel is not displayed, show it by clicking the Options button at
the right side of the 1D Processor window.

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 2 1D NMR DATA PROCESSING

3. Expand the peak that you want it to be the reference in the X direction, a
reference peak such as a standard substance (e.g. TMS) and a solvent.
4. Click the top of the peak to set it as the reference peak.
The program adds the Reference process to the process list. The list also contains the
Position where you clicked, and the Reference value you set in step 2.

2.2.8b Setting the reference using the Reference command

If you select Display — Reference in the 1D Processor window, you can set a reference at
an arbitrary position.
Two values of the position that sets up a reference, and a new reference value are required
in the Reference function. These values are entered into the box displayed under the
process list. Click the button to start the process list.

■ References

● Copying a reference value

In the Delta Console window, selecting Tools — Geometry Tools — Copy Ruler
Reference opens the “Copy Ruler Reference” window. You can use this window to copy
and paste a reference value in a data to another data in two different data display windows.

Fig. 2.2 “Copy Ruler Reference” window

● Maximum Reference command
This is used when setting the top of the signal as the reference.
For example, if you enter 0 ppm in the Ref box and 0.2 ppm in the Width box, the program
searches for the greatest peak in the range 0.2 ppm with the center at current 0 ppm, and
then sets it to 0 ppm.
● Auto Reference command
If the NMR data was sent from a JEOL spectrometer, GSX, EX, Alpha, or Lambda, select
Display — Reference — Auto Reference in the 1D Processor window. Then the macro
program calculates the 0 ppm reference position and sets it to the data.
● For data other than JEOL
If the NMR data file is obtained using an instrument other than one of the JEOL, select
Display — Reference in the 1D Processor window, or use the Reference mode on the
pointer bar.

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2 1D NMR DATA PROCESSING

● Changing the reference settings

If the NMR data file is the one obtained using a JEOL spectrometer, the program
automatically sets the reference based on the absolute frequency that is saved in the file in
the spectrometer. If you want to change the reference settings, select Display — Reference
in the 1D Processor window, or use the Reference mode on the pointer bar.
 When you read an exact frequency position from the spectrum to perform a
homo-spin decoupling or other experiments, use the original spectrum before
changing the reference. That is, use the spectrum in the default reference settings.

2.2.9 Peak Detection

Automatic and manual peak detections are provided to detect peaks in the spectrum.

2.2.9a Automatic peak detection

 Click the button on the tool bar.
The program automatically calculates the threshold level and noise level.
Or, you set the base level, noise level, and threshold level, and execute the automatic peak
pick.

1. Click the button on the tool bar.

The markers of the peak-threshold level, noise-threshold level, and base plain level are
displayed in the processed-data display area.

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 2 1D NMR DATA PROCESSING

Peak
threshold Noise
marker threshold
marker

Base plain
level marker

Here, the markers appear at the positions where the program automatically calculates.
2. Set the peak threshold level as shown below.
a. Click the button on the pointer bar to select Threshold mode.
b. Point to the peak threshold marker.
The pointer changes to the icon for changing the peak threshold.
c. Hold down the mouse button and drag it to set the position of the peak
threshold.
The peak threshold level marker moves to the position where you release the mouse
button.
3. Set the noise threshold level as shown below.
a. Point to the noise threshold marker.
The pointer changes to the icon for changing the noise threshold.
 If the marker is near another marker, and you cannot catch the noise threshold
marker, point to one of the grab boxes at both ends.
b. Hold down the left mouse button and drag it to set the position of the noise
threshold.
The noise threshold level marker moves to the position where you release the mouse
button.
4. Set the base plain level.
a. Point to the base plain level marker.
The pointer changes to the icon for changing the base plain level.
 If the marker is near another marker, and you cannot catch the baseline level
marker, point to one of the grab boxes at both ends.
b. Hold down the mouse button and drag it to set the position of the base plain
level.
The base plain level marker moves to the position where you release the mouse
button.

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2 1D NMR DATA PROCESSING

5. Click the button.

The program detects peaks, and displays the peak markers.

Peak markers

● Reference
If you click the button in the 1D Processor window, the program performs both
automatic peak detection and automatic integration at the same time, and displays the
results in the processed-data display area in the 1D Processor window.

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 2 1D NMR DATA PROCESSING

2.2.9b Manual peak detection

It is necessary to set up the threshold value and noise level value described in Sect. 2.2.9a.
Moreover, this method is also a method for adding or deleting detected peaks after automatic
peak pick.

■ Detecting a peak by clicking in the vicinity of the peak

1. Click the button on the pointer bar to select Peak mode.

2. Move the mouse pointer near the top of the peak to add, and click the mouse
button.
The program automatically detects the peak that is nearest to the position you clicked,
and displays its peak marker.
 You cannot detect a peak that is lower than the threshold level or noise level. If
you try to do so, the warning message “No Peak exceeds threshold” will appear.
 If the spectrum has a peak marker near the position you click, the program may
not detect the peak, but select the position that has a peak marker. In such a case,
click the peak while holding down Alt key, so that you can specify the new
peak without detecting the peak marker position.

■ Adding the clicked position to a peak

1. Click the button on the pointer bar to select Peak mode.

2. Point to the position where you want to add to a peak, hold down Shift key,
and click the mouse.
The program detects the position you clicked, and displays a peak marker there.
 If the spectrum has a peak marker near the position you click, the program may not
detect the peak, but select the position that has an existing peak marker. In such a case,
click the peak while holding down Alt key, so that you can specify the new peak
without detecting the peak marker position.

■ Specifying a peak by clicking a peak marker

1. Click the button to select Peak mode.

2. Point to the peak marker of the peak and click it.
The program specifies the peak whose peak marker you clicked, and changes the color
of the peak marker.
 You can also specify a peak in Select mode.

■ Selecting all peaks in the range you specify

1. Click the button on the pointer bar to select Select mode.

2. In the X-axis ruler area, point to the left of the peak marker group in the
selecting range, and hold down the mouse button.
A vertical line appears.
3. Drag the line to the right of the peak marker group in the range, and release the
mouse button.
The program selects all peaks in the range enclosed with the vertical cursor, and
changes the color of the peak markers of the peaks.

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2 1D NMR DATA PROCESSING

■ Selecting all peaks

 Click the (button to display key-commands) button on the pointer bar and
select Select All [A] from the pull-down menu.
The program selects all peaks, and changes the color of the peak markers of the peaks.

■ Selecting multiple peaks in the separated position

1. Select a peak.
Select the peak using the procedure “■ Specifying a peak by clicking a peak marker”
that is explained in the previous section.
2. Click the button on the pointer bar to select Select mode.
3. Point to the peak marker of another peak to select, hold down Shift key, and
click it.
The program selects both peaks, and changes the color of the peak markers of the
peaks.

■ Deleting the selected peak

1. Specify the peak which you want to delete.

You can specify the peak using the procedure “■ Specifying a peak by clicking a
peak marker” that is explained in the previous section.
2. Click the (button to display key-commands) button on the pointer bar and
select Delete [Backspace] from the pull-down menu.
The selected peak is deleted.

■ Canceling selection of the peaks in the specified range

1. Click the button on the pointer bar to select Select mode.

2. In the X-axis ruler area, point to the left side of the peak marker group in the
range to be canceled, hold down Shift key, and hold down the mouse button.
A vertical line appears.
3. While holding down Shift key, drag the line to the right side of the peak marker
group in the range, and release the mouse button.
The program cancels the selection of all peaks within the range where you dragged the
line.

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 2 1D NMR DATA PROCESSING

■ Displaying the J value between peaks

1. Select the peaks.

Select the peak using the procedure “■ Specifying a peak by clicking a peak marker”
that is explained in the previous section.

2. Click the (the button to display the key-command) button and select
J Coupling [J] from the pull-down menu.
The J value between the selected peaks appears.

■ Displaying the peak-marker labels in a different unit

1. Select Display Units from the pop-up menu.

2. Click the unit that you want to display from the following menu.
• Hertz
• ppm
• Percent
• Point
The label unit for the peak markers changes to the unit you selected.

■ Position to display the peak list

The peak list appears under the spectrum in default. If you want to display the peak list
above the peaks, right-click the mouse to display a menu, and select Options — Peak —
Peak Above.

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2 1D NMR DATA PROCESSING

2.2.10 Integration
Automatic and manual spectrum integrations are provided.

2.2.10a Automatic integration

The automatic integration algorithm uses the threshold and noise value.
Usually, these values are calculated automatically.
 After setting the threshold and noise levels, click the button on the tool bar.
The integration is performed.
● Reference
When you click the button in the 1D Processor window, the program performs both
automatic peak detection and automatic integration at the same time, and displays the result
in the processed-data display area in the 1D Processor window.

2.2.10b Manual integration

This method is also used to add or delete the integration curve after the automatic
integration.

■ Adding the integration curve

1. Click the button on the pointer bar to select Integral mode.

2. In the spectrum, move the pointer to the left side of the integration range where
you want to add an integration curve, and hold down the mouse button.
3. While holding down the mouse button, drag the line to the right side of the
range, and release the mouse button.
The program adds the integration curve.

4. Repeat steps 2 and 3 to add the required integration curve.

 If the spectrum has an integration curve near the position you clicked, the
program may detect the integration range that is already present. In such a case,
click the position while holding down Alt , so that you can specify the new peak
without detecting the existing integration range.

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 2 1D NMR DATA PROCESSING

● Reference
The difference of the level of the integration base point depending on the specified
integration range:
In default, the integration base line is traced between the both edge points of the integration
range. If you specify the integration range while holding down the Shift key, the levels of
the integration base point are set to that of the start and end points you specified using the
mouse.

■ Selecting the current integration curve

1. Click the button on the pointer bar to select Select mode.

2. Point to the current integration curve that you want to select, and click it.
A box that surrounds the selected integration curve appears.

■ Setting the integration normal value

1. Select the integration curve whose integration you want to set to the normal
value using the steps described in the above section, “■ Selecting the current
integration curve”.
2. Click the (the button to display the key-command) button, and select
Normalize [N] from the pull-down menu.
The program sets the integration value of the integration curve thtat you selected in
step 1 to the normal value, and changes the other integration values relatively
according to the normal value.
When you want to change the normal value, carry out the following step 3.
3. Enter the normal value in the Normal box of the Options panel.
The integration value changes.

Normal box

 If the Options panel is not displayed, click the Options button at the right side
of the 1D Processor window to open the Options panel.

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2 1D NMR DATA PROCESSING

■ Deleting an integration curve

1. Click the button on the pointer bar to select Select mode.

2. Point to the integration curve that you want to delete, and click it.
The integration curve is selected.
3. Click the (the button to display the key-command) button on the pointer
bar, and select Delete [Backspace] from the pull-down menu.
The integration curve is deleted.

■ Deleting all integration curves

1. Click the (the button to display the key-command) button on the pointer
bar, and select Select All [A] from the pull-down menu.
All integration curves are selected, and appear in the color for selected state.
2. Click the button again, and select Delete [Backspace] from the
pull-down menu.
All integration curves are deleted.

■ Changing the size of an integration curve

1. Click the button on the pointer bar to select Select mode.

2. Point to the integration curve whose size you want to change, and click it.
The integration curve is selected, and its box appears.
3. Point to the grab box at the top center of the integration curve box, and hold
down the mouse button.

4. Move the mouse pointer to change the size of an integration curve, and release
the mouse button.
Expansion will be performed if the mouse pointer is moved upward, and reduction
will be performed if the mouse pointer is moved downward.

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 2 1D NMR DATA PROCESSING

■ Changing the display position of the integration curve

1. Select the integration curve whose integration position you want to change by
using the steps described in the previous section, “■ Selecting the current
integration curve”.
The integration curve and its box appear.
2. Point to the grab box at the bottom center of the box, and hold down the mouse
button.

3. Drag the pointer to the appropriate height.

■ Correcting the integral baseline

1. Select the integration curve whose integral baseline you want to correct using
the steps described in the previous section, “■ Selecting the current integration
curve”.
The integration curve and its box appear.
2. Point to the grab box at the bottom right or left of the box, and hold down the
mouse button.

Left grab box Right grab box

3. Drag the pointer to the appropriate height.
The base point moves to the height you drag it.
4. Verify that the baseline is adjusted correctly. If it is not, repeat steps 2 to 3.

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2 1D NMR DATA PROCESSING

■ Splitting an integration curve

1. Select the integration curve that you want to split using the steps described in
the previous section, “■ Selecting the current integration curve”.
The integration curve and its box appear.
2. Point to the grab box at the top left of the box.
The mouse pointer changes to scissors.

3. Hold down the mouse button.

A vertical line appears at the position you clicked.
4. Drag the line to the position where you want to split the integral curve and
release the mouse button.
The integral curve is split at the position where you released the mouse button.

2.2.11 Transfer Integral Tool Window

You can use the “Transfer Integral Tool” window to create, save and load the integration
conditions. The created integration conditions (it is called integration template) can also be
applied directly to the data of another window. An integration template contains a list of
integration ranges. You must specify the normal integration curve as N.
1. Select Analyze — Transfer Integral Tool in the Delta Console window.
The “Transfer Integral Tool” window appears.

Click the integral

range to set it to
normal.
Integral
range

Fig. 2.3 “Transfer Integral Tool” window

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 2 1D NMR DATA PROCESSING

2. Click the button.

3. Click the button.
The pointer changes to a finger.
4. Click the spectrum whose integral range you want to refer.
The program refers to the integral range.
 If you want to apply this integral range to another data, click the button.

2.2.12 Comment
In the Delta program, you can write comments (characters) on the screen by selecting the
Annotation mode in the pointer bar.
When you want to display the comments, right-click the mouse and select Options —
Annotation.
Comments are saved together with the data. Therefore, after you write a comment, save the
data on the hard disk.
■ Creating a comment

1. Click the button on the pointer bar to select Annotation mode.

2. Move the mouse pointer to the position where you want to create a comment,
and click the left mouse button.
The mouse pointer changes to the text cursor ( | ).
3. Enter character strings.
You can enter strings only one line.

Fig. 2.4 Data before writing the text

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Fig. 2.5 Data after writing the text

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■ Editing a comment

1. Click the button on the pointer bar to select Annotation mode.

2. Click the comment that you want to edit.
The selected comment is surrounded with a blue box.
3. Edit the text by moving the text cursor ( | ) using the ← and → keys.

■ Moving a comment

1. Click the button on the pointer bar to select Select mode.

2. Point to the comment that you want to move, and hold down the mouse button.
The selected comment is surrounded with a blue box.
3. Drag the comment to the position where you want to move it.

■ Changing the font and size of the comment

1. Select the Select mode ( button) or the Annotation mode ( button) on the
pointer bar.
2. Click the comment you want to change.
The selected comment is surrounded with a blue box.
3. Right-click the mouse button.

Fig. 2.6 Pop-up menu that appears by right-clicking

The command list appears.
4. Point the mouse pointer to the desired menu item, and select from sub-menu.

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2.2.13 PiP （Picture in Picture）

PiP creates a partial spectrum (child geometry) from the whole spectrum (parent geometry).
PiP is used, for example, to view a part of the spectrum in greater detail. You can operate
the PiP procedure by selecting the PiP mode on the pointer bar.
PiP boxes

Surround the range (Area box)

Fig. 2.7 Processed data display area after PiP procedure

■ Creating a PiP box

1. Click the button on the pointer bar to select PiP mode.

2. Drag while pressing the left mouse button and surround the area where you
want to view in the PiP box.
The PiP box appears at the specified area. Immediately after created, the PiP box
displays the whole geometry.
3. Move the PiP box according to the steps explained below, “■ Moving the PiP
box”.

■ Moving the PiP box

1. Click the button on the pointer bar to select Select mode.

2. Point to the PiP box, and drag it.
The selected PIP box moves. Drag it to the position where the partial spectrum can be
easily seen.

■ Changing the size of the PiP box

1. Click the button on the pointer bar to select Select mode.

2. Point to the grab box of the PiP box, and drag it to change the size.

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■ Aligning the PiP boxes

 Select Auto Arrange while clicking the button, or press the P key on the
keyboard.

The PiP boxes are aligned.

2.2.14 Setting Display Range of Spectrum

You can set the display range of the spectrum by typing numerical values in the parameter
boxes.
1. Select Tools — Geometry Tools — View Control in the Delta Console
window.
The View Control window opens.

Parameter boxes to specify the range

Fig. 2.8 View Control window
2. Click either button: or .
Ends: Enter the Start and Stop positions to specify the range.
Range: Enter the Center (the center position for expansion) and Range (the
expansion width) to specify the range.

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2 1D NMR DATA PROCESSING

3. Click the button.

The pointer changes to a finger.
4. Point to the spectrum that you want to expand, and click it.
The file name of the spectrum appears in the Target box in the View Control window.
Also, the present range of the spectrum appears in the parameter boxes.
5. Enter the range of the spectrum that you want to display in the parameter
boxes to specify the range using the keyboard.
The program changes the display range of the spectrum to the range you enter in step 4.

The values displayed in the parameter boxes are the real range of the spectrum display.
They may differ from the numerical values you entered because the values are
rounded to fit with the digital resolution of the spectrum.

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2.2.15 Plotting
You can simply perform the data plotting using the following procedures.
If you want to customize the printing conditions, use the “Page Layout Editor” window.

■ Displaying the “Page Layout Editor” window

 Select Tools — Page Layout Editor in the Delta Console window.

The “Page Layout Editor” window appears.
 Other windows, such as 1D Processor window and Data Slate window also has Tools
menu.

■ Plotting a data file

 Click the button in the 1D Processor window.

The program plots the processed data and the parameters you specified.
The method to specify the parameters to print is explained in the following section,
“■ Specifying parameters to print”.

■ Specifying parameters to print

You can specify the data and parameters to print by selecting them in the Delta tab in
the Print window which appears by clicking the button.

● Reference
When you plot explanatory notes, such as peak comment, and sample names, measurement
conditions, in arbitrary places of the processing data display area, refer to Sect. 2.2.12,
“Comment”.

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2 1D NMR DATA PROCESSING

2.3 DECONVOLUTION
If you use deconvolution, you can separate the NMR peaks that overlap. By superposing
the waveform of Lorentzian, Gaussian or hybrid of them, the program approximates the
observed spectrum in which two or more peaks are overlapped, and optimizes its waveform
parameters. After deconvoluting the spectrum, the program automatically saves the
resultant integration values in the peak information of the spreadsheet.
Before deconvoluting the spectrum, you need to peak pick the data set; then expand the
range to deconvolute. The program deconvolutes all the peaks displayed on the display
window. If you deconvolute the whole range of the data set, it may take a long time.

■ Deconvoluting the spectrum

1. Right-click the mouse, and select Options — Peaks — Deconvolve from the
pop-up menu to turn on the deconvolution display.
2. Click the button on the pointer bat to select Peak mode.
3. Click the button on the pointer bar, and select Fit Lorentzian, Fit
Gaussian, or Fit Mixed from the command menu to specify the peak shape.
When you select a peak shape, The deconvolution operation starts, and is performed
under iteration conditions. The χ2 value (Chi square) that appears in the Delta Console
window shows the state of the optimization. The program repeats the optimization
until χ2 becomes a constant.
The calculated (deconvoluted) peaks appear in yellow. The difference between the
sum of the calculated peaks and the measured spectrum appears in red.
4. If you want to display the sum of the calculated peaks, right-click the mouse,
and select Options — Peaks — Deconvolve Sum from the pop-up menu.
The sum of the calculated peaks appears.

Fig. 2.9 Measured spectrum before deconvolution

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Difference spectrum
(red)

Measured spectrum Sum of the

(green) deconvoluted
peaks (red)

Deconvoluted
spectra (yellow)

Fig. 2.10 Spectrum after deconvolution

Fig. 2.11 Spreadsheet after deconvolution

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■ Deconvolution while holding the specified peak

1. Display the spreadsheet.

 For the operation procedure, refer to Sect. 9.2.
2. Right-click the parameter of the peak that you want to hold, and select Hold.

3. Deconvolute the spectrum.

The program deconvolutes the spectrum while holding the specified peak, and
displays the results.

■ Adding a peak

1. Click the button on the pointer bat to select Peak mode.

2. Click the peak that you want to add.

2-40 NMECZ-USP-1
 2D NMR DATA
3
PROCESSING
3.1 nD PROCESSOR WINDOW ........................................................ 3-1
3.1.1 nD Processor Window .................................................................... 3-1
3.1.2 Domain ........................................................................................... 3-3
3.1.3 Process List .................................................................................... 3-3
3.1.4 Process Levels ................................................................................ 3-4
3.2 2D DATA PROCESSING............................................................... 3-5
3.2.1 Zero-Filling .................................................................................... 3-5
3.2.2 Window Function ........................................................................... 3-6
3.2.2a Setting a window function ........................................................ 3-6
3.2.2b Changing the parameters for the window function ................... 3-7
3.2.2c Changing the window function ................................................. 3-8
3.2.2d Setting multiple window functions ........................................... 3-9
3.2.2e Checking the window function using 1D slice data ................ 3-10
3.2.3 Symmetrization ............................................................................ 3-12
3.2.4 Adjusting Levels of the Contour Lines (1)................................... 3-13
3.2.5 Adjusting Levels of the Contour Lines (2)................................... 3-16
3.2.6 Projection ..................................................................................... 3-17
3.2.6a Whole range projection ........................................................... 3-17
3.2.6b Partial projection ..................................................................... 3-17
3.2.6c Projection modes..................................................................... 3-17
3.2.7 Loading and Processing 1D Slice Data ........................................ 3-18
3.2.7a Displaying slice data using the process list............................. 3-18
3.2.7b Displaying slice data in the 2D Viewer window ..................... 3-19
3.2.8 Pasting a High-Resolution 1D NMR Spectrum ............................ 3-20
3.2.8a Pasting data from a disk .......................................................... 3-20
3.2.8b Pasting the displayed data ....................................................... 3-21
3.2.8c Pasting data displayed in another window .............................. 3-22
3.2.9 Reference Setting ......................................................................... 3-23
3.2.10 Peak Pick ...................................................................................... 3-24
3.2.10a Setting the J value ................................................................... 3-25
3.2.10b Adjusting the threshold and base levels .................................. 3-25
3.2.10c Displaying the results of peak pick in the Spread Sheet
window ................................................................................... 3-26
3 2D NMR DATA PROCESSING

3.2.11 Data Processing of Phase Sensitive 2D Data ............................... 3-26

3.2.11a Phase-correction processing.................................................... 3-26
3.2.11b Positive and negative peak display control ............................. 3-31
3.2.12 Eliminating the T1 Noise ............................................................. 3-33
3.2.13 Other Processing .......................................................................... 3-34

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3.1 nD PROCESSOR WINDOW

3.1.1 nD Processor Window
Menu bar

Tool bar/
tool buttons

Process-list
control buttons

Domain
buttons

Process lists
Fig. 3.1 nD Processor window

Toggle
button

Fig. 3.2 nD Processor (after data processing)

In the nD Processor window, using the button, you can switch the display between the
process list before processing and the result that are processed according to the process list.

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■ Tool bar

The nD Processor window has a tool bar that contains buttons for loading a data file,
saving a processed data file, printing, and other functions.
Button Name Function
Open Data From Disk Loads a data file from the hard disk.

Open Data By Fingering Open the data that you want to load before you click
Geometry this button.
For example, if you want to load a data file in window
B to window A, first click the button in window A,
click the button to change the pointer to a finger;
then click the data file in window B that you want to
load. This is the reverse of cut-and-paste.
Open Data File Loads new data file to the nD Processor window that is
presently open. If the nD Processor window has a
process list, the program processes the data according
to the process list.
Open Data File and Clear Loads new data file to the nD Processor window that is
Processing Lists presently open. At the same time, the present process
list in the nD Processor window is deleted.
Save Data File Saves the data file that is presently open to the hard
disk.

Remove File and Clear Deletes the data file and its process list that are
Processing Lists presently open.

Print List… Prints the process list.

1D slice on the selected Obtains 1D slice of the specified position in the

axis with the list in the specified domain, and displays it in the 1D Processor
selected level window.
Will process data and put Obtains up to 16 slices of the specified positions, and
up to sixteen Y slices into displays them in the Data Slate window.
Data Slate
Process File and Put in 2D Processes the data according to the process list, and
Phaser displays the processed data in the Phase 2D window.

Process File and Put in Processes the data according to the process list, and
Data Slate displays the processed data in the Data Slate window.

Process File and Put in Processes the data according to the process list, and
Data Viewer displays the processed data in the Data Viewer
window.
Toggle between processing Switches the display in the nD processor window
list view and geometry between the process-list display and processed-data
view display.
Abort current processing Aborts the running process in the process list.

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3.1.2 Domain
Delta treats each axis of NMR data set as a “domain.”
The domain contains the nucleus, the observation range of a spectrum and the processing
parameters. The only one domain of an NMR data set can be processed at one time. This is
called the “major domain,” other domains are called “minor domains.”
In order to distinguish the order of evolution times of t1, t2, and t3 in NMR data, Delta
expresses the domain with notation such as x, y, z, a, b, c, d, and e. On the axis of the
x-domain, the NMR signals are always acquired by the receiver of a spectrometer, and
other domains follow the x-domain with evolution times in the order of y, z….
Processing is performed only in the major domain of a data set. Both a major domain and a
minor domain can be replaced using the transpose command. If the transpose command is
executed n times for n-dimensional data, a major domain will return to the first domain.

transpose
process

Fig. 3.3 transpose process

3.1.3 Process List

Chapter 1 explains the fundamental usage of the process list. Although the fundamental
function of the process list of two-dimensional (multi-dimensions) data is the same as that
of a 1D process list, this section explains a required function for the process list of
two-dimensional (multi-dimensions) data.
A process list can be written for each domain of a multi-dimensional data set. It is called a
“domain list.” Each process list is finished at the transpose command. If this transpose
command is used, a major domain can be changed before processing to the next domain.
The transpose command cannot be deleted from the list as well as the display/phase
command of the 1D Processor window.

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3.1.4 Process Levels

After finishing the data processing of each domain, further processing can be performed on
the processed data. Processing is performed from the top to down. After finishing the 1st
step of processing, processing moves to the 2nd step.
A level of the process list is appended using the button, and deleted using the
minus button. Up to 4 levels of a process list can be added.

Process level
control button

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3.2 2D DATA PROCESSING

This section explains the processing of two-dimensional NMR data.

3.2.1 Zero-Filling
The Zerofill function extends the data set by refilling zero data with the specified scale
factor to the original data. Since the data size of every dimension consists of the nth power
of 2, the specified number must be the nth power of 2 such as 1, 2, 4, 8, and 16.
If you enter the numerical value that is not the nth power of 2, the numerical value of the
power of 2 larger than the entered value will be applied.

1. In the nD Processor window, in the process list of the domain where you want
to add zerofill, click the process above which you want to add zerofill.
2. Click the button.
3. Select PreTransform — Zerofill in the nD Processor window.

The program adds zerofill to the process list.

The zerofill process has one argument, Times. Click the at the left of the process in
the process list to show the box of the argument.
4. Enter the scale factor in the Times box.
 If you enter 1 in the Times box, the program does not perform the zero-filling
operation to the data.

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3.2.2 Window Function

Multiplying the data by a window function emphasizes the features, such as resolution and
signal-to-noise ratio.

3.2.2a Setting a window function

1. In the nD Processor window, select the domain where you want to add a
window function and the process above which you want to add a window
function.
2. On the nD Processor window, select the window function that you want to
apply to the data from Window in the menu bar.

The program adds the window function to the process list.

A window function has some arguments. Click the at the left of the process in the
process list to show the box of the arguments.
3. Enter a parameter in the parameter boxes.

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3.2.2b Changing the parameters for the window function

1. In the process list of the nD Processor window, click the at the left of the
window function whose parameters you want to change.
The parameter box appears under the window function.

Parameter
box

2. Type the numerical value to change the parameters for the displayed window
function.
3. Click the button.
The program reprocesses the data according to the process list and displays the
processed data.
4. Verify the change of the processed spectrum
5. Repeat steps 2 to 4, and find the optimum value for the parameter.
 To find an optimum parameter, it will be helpful for you to slice the data using
the button, and evaluate the window function in the 1D NMR data.

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3.2.2c Changing the window function

1. In the nD Processor window, in the process list, click the window function that
you want to replace with another one.

The window function is highlighted.

2. Click the (Change) button.
3. From the Window menu on the menu bar, select the window function that you
want to replace the present window function.
The window function in the process list is replaced with the window function that you
selected.
4. Click the button.
The program processes the data according to the process list again, and displays the
processed data.
If necessary, change the parameters of the new window function.

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3.2.2d Setting multiple window functions

You can set multiple window functions in the process list. You can set the window
functions independent of each other. The program applies each of the window functions to
the input data by multiplication.
1. In the nD Processor window, select the domain and the process above which
you want to add a window function.

The process you clicked is highlighted.

2. Click the (Insert) button.
3. From the Window menu in the menu bar, select the desired window function.
The program inserts the selected window function above the highlighted process.
4. Click the button.
The program processes the data according to the process list again, and displays the
processed data.
If necessary, change the parameters of the window function.

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3.2.2e Checking the window function using 1D slice data

This is the method for checking the window function using a 1D slice data.

1. In the nD Processor window, click the X or Y domain button to select the axis to
display.
2. Click the button in the Axes section to display the slice-position
parameters.

Axes
section

X domain

3. Enter the slice-position parameters.

You can specify the slice position by inputting the number of points, percent and so on.
For example, if you want to obtain the first X-slice data, select the X domain, and
enter 1 [pnt] in the slice-position parameter box of the Y-domain.

Slice
position
parameters

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4. Click the button.

The slice data at the position you specified in step 3 appears in the 1D Processor
window.

5. Change the window function and parameter value if necessary.

This is the same operation used to change the window function in usual
one-dimensional data.
6. Close the 1D Processor window.
The program automatically applies the window function and the parameters that you
changed in Step 5 to the process list in the nD Processor window.

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3.2.3 Symmetrization
The following two symmetrization methods are provided.
• Before performing FFT on the 2D data, add symmetrize to the process list in the
nD Processor window and carry out the process list.
• After performing FFT on the 2D data, symmetrize the data in the 2D Viewer
window or Data Slate window.
Symmetrization is useful to reduce asymmetric noise. But be careful because, if the noise
happens to have symmetric peaks, symmetrization may result in emphasizing the noise
peak that remains after the symmetrization.

■ Before performing FFT on the 2D data, add symmetrize to the process list
in the nD Processor window and carry out the process list.

1. Click the (Append) button.

2. Click an arbitrary process in the Y-axis process list.
3. On the menu bar, select PostTransform — Symmetrize.
The symmetrize is added to the Y-axis processing list.

4. Enter the symmetrization parameters Type and Threshold.

Type: Select the data type according to the symmetry axis.
Threshold: Enter 24 for the standard value.
5. Click the button or the button.
The program processes according to the processing list.
If you clicked the button, the 2D Viewer window appears after the processing
finishes.
If you clicked the button, the Data Slate window appears after the processing
finishes.

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■ After performing FFT on the 2D data, symmetrize the data in the 2D Viewer
window or Data Slate window.

1. In the 2D Viewer or Data Slate window, select Actions — Symmetrize from

the menu bar.

Fig. 3.4 2D Viewer window

2. Since the pull-down menu is displayed, click an item that matches the data type.
The symmetrization is carried out.

3.2.4 Adjusting Levels of the Contour Lines (1)

After displaying a 2D NMR data on the screen, you can adjust the levels of the contour
lines using the Level Tool window.

1. In the 2D Viewer window, click the button on the pointer bar to select select
mode.
2. Move the mouse pointer to the 2D data display area.
3. Hold down the right mouse button.
The following pop-up menu appears.

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4. While holding down the right mouse button, drag the pointer to Level Tool [∖]
in the pop-up menu, and release the mouse button.
The Level Tool window appears.

Contour-line
level button Top slider

Preset button

Bias slider

Threshold level
Bottom slider
Noise level
Apply
Base level
Fig. 3.5 Level Tool window

Button Function
Preset button Sets the number of contour-line levels. You can select from 2, 4, 6, 8,
12, 16 and 24.
Contour-line level Click the buttons to specify the level to display. The buttons you
button clicked are highlighted.
Top slider Determines the highest level (intensity) of the contour lines.
Bottom slider Determines the lowest level (intensity) of the contour lines.
Bias slider Determines the gradient of the levels (intensities) in the range between
the top slider (top right) and the bottom slider (bottom left). Moving the
bias slider changes the slope of the curve shown in the figure. Moving
it upward draws more contour lines in the low level range of signal
intensities.
Noise level The program automatically sets the noise level after processing the
data.
Threshold level The program automatically sets the threshold level after processing the
data. This is used for peak picking in 2D processing.
Base level Zero level of the signal intensity. Set it to the lowest level in the Level
Tool window.
Apply Click this button to draw the contour lines again according to the levels
you have set.

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5. In the Level Tool window, adjust the levels of the contour lines.
In the Level Tool window, set the lowest level by taking the noise level into account.
Set the number of the contour lines to draw and the levels (intensities) to assign to the
lines between the minimum intensity and the maximum intensity.

Maximum intensity

Noise level

 Usually, few or no contour lines are set to levels below the noise level. If you set
contour levels below the noise level, the program displays the contour lines of the
noise; this requires a large amount of system memory, and the processing speed may
become slow.
Adjusting the contour-line levels using the following procedure:
a. Among the contour-line level buttons, click the lowest one.
b. Move the bottom slider to specify the lowest level of the contour line.
c. Move the top slider to specify the highest level of the contour line.
d. Click one of the preset buttons to specify the number of contour lines to
display.
e. Click the button.

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3.2.5 Adjusting Levels of the Contour Lines (2)

You can also adjust the top slider and the bottom slider of the Level Tool window by using
the projection (slice) spectrum after displaying 2D NMR data on the screen.
1. Select the projection (slice) spectrum in the 2D Viewer window.
2. Click the button on the pointer bar, and select the (Copy Amplitude).

3. Specify the lower bound of the projection (slice) spectrum by dragging the
mouse.
4. Move the mouse pointer onto the 2D spectrum, right-click, and select Contour
Bounds — Set Lower Bound from the pop-up menu.
The bottom slider of the Level Tool is specified.

5. Select the projection (slice) spectrum again, and specify the upper bound of the
projection spectrum by dragging the mouse.
6. In the same manner as that for specifying the lower bound, move the mouse
pointer onto the 2D spectrum, right-click, and select Contour Bounds — Set
Upper Bound from the pop-up menu.
The top slider of the Level Tool is specified.

7. Using the bias slider of the Level Tool, adjust the level to the optimum position
and click Apply.

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3.2.6 Projection
3.2.6a Whole range projection
 In the 2D Viewer window, select Project — Full.
The program displays the projection of the data in the projection-data display area.

Projection-data
display area

3.2.6b Partial projection

1. Click the button on the pointer bar to select Zoom mode.
2. Expand the range to display the partial projection using the pointer.
The spectrum is expanded.
3. In the 2D Viewer window, select Project — Partial.
The partial-projection data appears in the projection-data display area of the expanded
axis. When expanding along the X-axis, the part of the data that is expanded is
projected onto the X-axis. When expanding along the Y-axis, the part of the data that
is expanded is projected onto the Y-axis.
 Selecting Layout — 1D Display from the menu bar displays the pull-down menu,
and then you can select Slices, Projections, or Both. If you select Slices, only the
slice data appear at the side of the 2D data.

3.2.6c Projection modes

Delta has the following projection modes
Parameter Value Explanation
Do Summation TRUE Projection in the summation mode.
FALSE Projection in the skyline mode（default）.
Do Envelope TRUE Simultaneous projection for both positive and negative data is
performed.
FALSE Simultaneous projection for both positive and negative data is not
performed (default).

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3.2.7 Loading and Processing 1D Slice Data

During processing, you can verify the 1D spectrum that is sliced from a multidimensional
data set. In the Delta program, you can obtain a slice data from the data set, process it as
the 1D spectrum data, and utilize its process list for the multiple-dimensional processing.

3.2.7a Displaying slice data using the process list

1. Click the X or Y domain in the nD processor window to select the axis that you
want to display.
2. Click the button in the Axes section, and enter the number of the slice data
that you want to load in the counter.
For example, if you want to load the first slice data on the Y-axis from the 2D data,
select the X domain and enter 1 in the Y-axis counter.

Y-axis
counter

3. Click the button.

The 1D Processor window opens and the slice data specified in the counter is displayed. If
the nD Processor window has a process list for the domain you specified, the program
copies the process list to the 1D Processor window, and carries out the processing.
4. After the 1D Processor window opens, create a process list in the same
manner as for the 1D data processing.
If the 1D Processor window already has a process list, modify it.
5. Select File — Close from the menu bar.
The 1D Processor window closes, and the program automatically copies the process
list to the nD Processor window.

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3.2.7b Displaying slice data in the 2D Viewer window

1. In the 2D Viewer window, select Layout — 1D views from the menu bar, and
select Show X Slice or Show Y Slice to display the slice data in the projection
display area.
2. Click the button on the pointer bar.
3. Move the pointer to the 2D data display area, and hold down the left mouse
button.
The slice cursor appears.
4. While holding down the mouse button, drag the slice cursor to the position you
want to slice, and release the mouse button.

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3.2.8 Pasting a High-Resolution 1D NMR Spectrum

This section explains the method for pasting a high-resolution 1D NMR spectrum on the
slice- or projection-data display area in the 2D Viewer window.
It is assumed that a 1D NMR spectrum after FFT calculation and other processing is
already saved on the hard disk or displayed in the 1D Processor window.

3.2.8a Pasting data from a disk

1. Click the button in the 2D Viewer window.

2. Select Layout — Load 1D — Load X Slice or Load X Projection.

The “Open Data for Processing” window opens.

3. Select the file.

The program pastes the 1D NMR data that you selected into the X-axis slice- or
projection-data display area.
4. For pasting the 1D NMR data into the Y-axis display area, repeat steps 2 and 3.

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3.2.8b Pasting the displayed data

1. Click the button in the 2D Viewer window.

2. Select Layout — Load 1D — Load X Slice or Load X Projection.

The pointer changes to a finger.

3. Select the spectrum that you want to paste.

4. For pasting the 1D NMR data into the Y-axis display area, repeat steps 2 and 3.

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3.2.8c Pasting data displayed in another window

1. In the 2D Viewer window, click the key button to open the key.

Key button Key button (open)

2. In the 2D Viewer window, click the button on the pointer bar to select Select
mode.
3. Move the pointer to the projection-data display area or slice-data display area
of the F2 axis on which you want to paste the 1D spectrum, or to the
projection-data display area or slice-data display area of the F1 axis on which
you want to paste the 1D spectrum, and click the left mouse button.

4. Move the pointer to the 1D spectrum that is displayed.

5. Hold down the right mouse button.

The pointer changes as follows.

Mouse pointer

 As soon as you see the mouse pointer change to the above shape while holding
down the right mouse button, right-drag the pointer quickly.
If you do not move the pointer quickly, a pop-up menu appears. If this happens,
release the mouse button, and hold down the right mouse button again.
6. While holding down the right mouse button, drag the pointer to the button in
the 2D Viewer window, and then release the mouse button.
The program displays the 1D spectrum in the area you selected in step 3.

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3.2.9 Reference Setting

You can set the reference using the 2D Viewer window or Data Slate window.

1. Expand the peak that you want to specify as a reference position.

2. From the menu bar in the 2D Viewer window or the Data Slate window, select
Options — Option bar.
The parameter box to enter the reference value of the chemical shift appears at the
bottom of the window.

3. Enter the reference values in the X-axis reference value input box and the
Y-axis reference value input box.
 The units are the same as those used in the rulers.
4. Click the button on the pointer bar to select Reference mode.
5. Move the mouse pointer to the top of the peak that you want to specify as the
reference.
6. Click the left mouse button.
The position values of the peak that you clicked change to the reference values that
you set in step 3.

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3.2.10 Peak Pick

You can peak pick in the 2D Viewer window or Data Slate window.
 In the 2D Viewer window or Data Slate window, click the button or
button on the tool bar.
The program peak picks and displays the peak marker. If you click the button, the
program treats a J-split cosy peak as a single peak.

Fig. 3.6 Results of Peak Pick

Fig. 3.7 Results of Peak Pick and Integrate with Cosy Peak J Width

 Before you click the button, setting the J value is required. Set it according
to the following Sect. 3.2.10a, “Setting the J value”.
 If the number of peaks is not appropriate for peak pick, adjust the threshold and
base levels according to the following Sect. 3.2.10b, “Adjusting the threshold and
base levels”.
 The detailed results of the peak pick are displayed in the Spread Sheet window.
Refer to the following Sect. 3.2.10c”, Displaying the results of peak pick in the
Spread Sheet window”.

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3.2.10a Setting the J value

1. Select Options — Show Option Bar from the menu bar in the 2D Viewer
window or Data Slate window.
The Option Bar appears at the bottom of the window.

Fig. 3.8 Option bar

2. Select Peak COSY J Width, and enter an appropriate J value in the input box.
After this operation, peak pick by clicking the button.
The results of the peak pick differ depending on the J value you set.

3.2.10b Adjusting the threshold and base levels

If the peak picking procedure detected too many or too few peaks, you must adjust the
threshold and base levels. Adjust the threshold and base levels as follows.

1. Move the pointer to the 2D data display area.

2. Select Level Tool from the right mouse-button menu.
The Level Tool window opens.
3. In the Level Tool window, move the pointer to the threshold and base level
setting area.

Threshold level

Base level

Threshold and base level setting area

4. Select Statistics [Alt-T] from the right button menu.

5. Hold down the left mouse button in the threshold and base level setting area.
6. While holding down the left mouse button, drag the pointer to the position
where you want to set the threshold level. And then release the mouse button.
The threshold level moves.
After this, perform peak pick. If you need to adjust the noise level, carry out the
following procedure.

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7. Move the mouse pointer to the threshold and base level setting area in the
Level Tool window, and hold down the middle mouse button.
8. While holding down the left mouse button, drag the pointer to the position
where you want to set the base level, and then release the mouse button.
The base level moves.
After this, perform peak pick again.

3.2.10c Displaying the results of peak pick in the Spread Sheet window
1. In the Delta Console window, select Analyze — Peak Spreadsheet.
The Spread Sheet window opens.
2. In the Spread Sheet window, click the button.
The mouse pointer changes to a finger.
3. Move the pointer to the 2D NMR data displayed on the screen, and click it.
The detailed results of the peak pick appear.
 For information on the Spread Sheet window, refer to Chap. 9, “SPREAD SHEET”.
3.2.11 Data Processing of Phase Sensitive 2D Data
For processing the phase sensitive 2D data, phase-correction processing and display control
of positive-and-negative peak are necessary in addition to various kinds of data processing
of 2D data in the absolute-value display mode.

3.2.11a Phase-correction processing

When you know the correct phase-correction values in advance, or use the calculated
phase-correction values, add the phase-correction values into the process list in the nD
Processor window to correct the phase.
If you do not know the appropriate phase correction values, perform the phase correction
processing in the Phase 2D window.

■ When you know the phase-correction values, or use the calculated values

When you know the correct phase-correction values in advance, or use the calculated
phase-correction values, add the phase-correction values into the process list in the nD
Processor window, and correct the phase according to the following operation.

1. In the nD Processor window, click the (Append) button.

2. Click in the area of the process list of the X-axis.

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3. Select PostTransform — Phase — Apply Phase.

The phase:0:0:50 [%] appears above transpose.

4. Click the to display the Φ0, Φ1, ΦP parameter input boxes, and enter the
phase-correction values in each box.

5. In the nD Processor window, click the (Append) button.

6. Click in the area of the process list of the Y-axis.
7. In the nD Processor window, select PostTransform — Phase — Apply
Phase.
The phase:0:0:50 [%] appears above transpose.

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8. Enter the phase-correction values in each Φ0, Φ1, ΦP input box.

9. Click the button.

The program processes the data according to the process list, and opens the Data
Viewer window.
10. Verify the two-dimensional data after phase correction that is displayed in the
2D Viewer window.
When phase correction is required again because the phase correction is not acceptable,
perform the following procedure “■ When you do not know the suitable phase
correction value”.
 You can enter PP in %, ppm, or points. If you enter PP in ppm, you need to perform
the axis processing in ppm in advance. If you want to enter it in points, you need to
convert the value, depending on the expansion ratio for zero filling.

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■ When you do not know the suitable phase correction value

When you do not know the suitable phase correction value, perform the 2D Fourier
transformation using the Phase 2D window, obtain the phase correction values for each
slice data using the functions of the Phase 2D window, and perform the phase correction.

1. In the nD Processor window that has the necessary process list, click the
button on the tool bar.
The Phase 2D window opens.

2. In the 2D data display area, click the button on the pointer bar to select
Cursor mode.
3. Select two peaks, whose phases are not completely correct yet, to use for
phase correction.
Select the two peaks that are positioned as far as possible in the diagonal direction.

NMECZ-USP-1 3-29
3 2D NMR DATA PROCESSING

4. Click the button.

5. Perform phase correction of the X-axis.

a. Click the button on the pointer bar to select Phase mode..
b. Move the pointer to the X-axis slice-data display area for the first point, and
click the left mouse button.
c. In order to obtain Φ0 in the X-axis, move the pointer to a peak whose phase is
easy to correct.
The program enters the X-axis value at the point you left button clicked to the XΦp
input box.
d. While viewing the peak of the X-axis slice data at the first point, adjust Φ0 of
the X-axis.
e. While viewing the peak of the X-axis slice data at the second point, adjust Φ1
of the X-axis.
6. Perform phase correction for the Y-axis by the same procedure as for the
X-axis phase.

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 3 2D NMR DATA PROCESSING

7. Click the button.

8. Click the or button.

The phase-corrected 2D data is displayed in the 2D View window or the Data Slate
window.

3.2.11b Positive and negative peak display control

The phase-sensitive 2D data after phase correction may have only positive peaks. In that
case, operate not to display the negative peaks.
Moreover, some data require plotting only the positive or negative peaks. In this case,
display only the positive or negative peaks. You can control the display of the positive or
negative peak in the Level Tool dialog box.

■ Displaying the Level Tool dialog box

1. Move the pointer to the 2D data display area.

2. Select Level Tool [∖] from the right button menu.
The Level Tool window appears.

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3 2D NMR DATA PROCESSING

■ Displaying only the positive peaks

 In the Level Tool widow, click the button to turn it off.

This displays only the positive peaks.

+ button and
– button

Clicking the button again to turn it on displays the negative peaks.

■ Displaying only the negative peaks

 In the Level Tool window, click the button to turn it off.

This displays only the negative peaks.
Clicking the button again to turn it on displays the positive peaks.

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 3 2D NMR DATA PROCESSING

3.2.12 Eliminating the T1 Noise

The noise called the T1 noise often appears in 2D NMR data. This noise generates because
of the settings for the number of points in the indirect-axis and waiting time for the
measurement. You can eliminate the T1 noise according to the following procedure.

T1 noise

1. In the Data Slate window, open the 2D spectrum whose T1 noise you want to
eliminate.
2. Select Actions — Box Action — Ridge Reduce X.
3. Click the button on the pointer bar, and select the .

Pick region and

perform action

4. Select the region whose T1 noise you want to eliminate.

5. Repeat eliminating the noise to eliminate all the noise.
 Negative signals remain at the positions where you eliminated the noise. If you want
to hide the negative signals, click the button in the Level Tool window.

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3 2D NMR DATA PROCESSING

3.2.13 Other Processing

 For information on comments, PiP, spreadsheets, setting display range of spectrum,
and plotting, refer to Chap. 2, “1D NMR Data Processing.”
If you plot using a monochrome laser printer, selecting the “Print Negative Contour as
Grey” to plot the negative contour lines in gray.

1. Click the button.

2. Open the Delta tab in the Print window.

3. Select the “Print Negative Contours as Grey” under “Printing” section.
4. Select the “Black and White” under “Color” section.

5. Click the button.

This plots the negative contour lines in gray.

3-34 NMECZ-USP-1
 ARRAY DATA
4
PROCESSING
4.1 OUTLINE OF ARRAY MEASUREMENT DATA
PROCESSING ................................................................................ 4-1
4.2 PROCESSING METHOD FOR ARRAY MEASUREMENT
DATA ............................................................................................... 4-2
4.2.1 Processing All Data as a Single Data File ...................................... 4-2
4.2.1a When process conditions are saved in the process list .............. 4-2
4.2.1b When the process list is not provided ....................................... 4-3
4.2.1c Displaying arbitrary data in the Data Slate window ................. 4-7
4.2.2 Processing arbitrary Data taken from the Measurement Data ........ 4-8
 4 ARRAY DATA PROCESSING

4.1 OUTLINE OF ARRAY MEASUREMENT DATA

PROCESSING
Array measurement data is the data set in a file obtained by continuously measuring the
one–dimensional data, such as relaxation time measurement and multi-dimensional data,
while changing the measurement conditions.
This processing is similar to multiple-dimension NMR data processing; therefore, it uses
the nD Processor window and Data Slate window.
Also, in relaxation time measurement or diffusion measurement data processing, data
analysis is performed using the Curve Analysis window.
The array measurement data are processed using the following two methods.

● Processing all the measurement data (first to nth data) at one time
under the same processing conditions ( 
Sect. 4.2.1).

FFT
2

● Taking out a data file from among the first to the n th measurement data,
and processing the data ( 
Sect. 4.2.2).

Take out FFT

2

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4 ARRAY DATA PROCESSING

4.2 PROCESSING METHOD FOR ARRAY

MEASUREMENT DATA
4.2.1 Processing All Data as a Single Data File
4.2.1a When process conditions are saved in the process list
1. Load the process list that you want to use into the nD Processor window.

2. Click the button on the tool bar.

After performing data processing specified by the process list for the first to the nth
measurement data sets, the Data Slate window appears.
3. Select Expansion — Linearize from the menu bar in the Data Slate window.

The processed data appears as one-dimensional data. These data are useful when
viewing the change in intensities while taking notice of the specific signal, such as a
90° pulse or decoupling map.

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 4 ARRAY DATA PROCESSING

 If you click the button instead of the button, the program processes the
first to the nth measurement data according to the process list, and then opens the
Data Slate window. In this case, the 1st to the nth processed data are arranged in
one window as the following figure. This presentation is useful when comparing
details of the spectra, such as homonuclear spin decoupling or differential NOE.

 The processed data are displayed up to 16.

If N ≥ 17, a window opens to specify the number of the data to display. Sixteen
data are displayed from the specified position. If the number of data to display in
the window is fewer than 17, all data are displayed.

4.2.1b When the process list is not provided

Here, you select a data file from the array measurement data, display it in the 1D Processor
window as one-dimensional slice data, and obtain the suitable window function and phase
correction values for the data.

1. In the nD Processor window, select the X domain.

NMECZ-USP-1 4-3
4 ARRAY DATA PROCESSING

2. Click the button in the Axes section, and enter the slice data points (1 to n)
in the slice position parameter input box.
Select the data whose phase is easy to correct, and slice it.

Slice position
parameter
input box

3. Click the button.

The slice data of the position you specified in step 2 appears in the 1D Processor
window.

4. Set an appropriate window function.

The operation is the same as when changing the window function of usual 1D data.
5. Correct the phase to obtain the appropriate phase correction values.
The operation is the same as when correcting phase of usual 1D data.
 Be sure to correct the phase manually without performing automatic correction.

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 4 ARRAY DATA PROCESSING

6. Close the1D Processor window.

The window function and the phase correction values obtained in steps 4 and 5 are
automatically added to the process list in the nD Processor window.

7. Click the button.

After data processing of the processing list is performed for the first to nth
measurement data sets, the processed data are displayed in the Data Slate window.
8. Select Expansion — Linearize from the menu bar in the Data Slate window.

The processed data appears as one-dimensional data. These data are useful when
viewing the change in intensities while taking notice of the specific signal, such as a
90° pulse or decoupling map.

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4 ARRAY DATA PROCESSING

 If you click the button instead of the button, the program processes the
first to the nth measurement data according to the process list, and then opens the
Data Slate window. In this case, the 1st to the nth processed data are arranged in
one window as in the following figure. This presentation is useful when
comparing details of the spectra, such as homonuclear spin decoupling or
differential NOE.

 The processed data are displayed up to 16.

If N ≥ 17, a window opens to specify the number of the data to display. Sixteen
data are displayed from the specified position. If the number of data to display in
the window is fewer than 17, all data are displayed.

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 4 ARRAY DATA PROCESSING

4.2.1c Displaying arbitrary data in the Data Slate window

1. After setting the process list in the nD Processor window, click the button.
2. Display the desired slice data in the row slice display area of the 2D Viewer
window.

Row-slice
display area

Column slice
display area

3. Move the pointer to the row-slice display area, and hold down the right mouse
button to show the pop-up menu.

4. In the pop-up menu, select Export To — Data Slate.

The slice data appear in the Data Slate window.

NMECZ-USP-1 4-7
4 ARRAY DATA PROCESSING

4.2.2 Processing arbitrary Data taken from the Measurement

Data
1. In the nD Processor window, select X domain.

2. Click the button in the Axes section, and enter the position (number of
points) of the slice data that you want to process into the Y-axis slice position
parameter input box.

Slice position
parameter
input box

4-8 NMECZ-USP-1
 4 ARRAY DATA PROCESSING

3. Click the button.

The slice data whose position you specified in Step 2 appear in the 1D Processor
window.

4. Process the data in the same way as for the usual 1D data.
 If you want to save the processed data, save the data with a different filename.

NMECZ-USP-1 4-9
 ADDING AND
5
SUBTRACTING THE DATA
5.1 DISPLAYING THE OPERATE ON FILES WINDOW ............. 5-1
5.2 ADDING AND SUBTRACTING
THE MEASUREMENT DATA (FID)........................................... 5-2
5.3 ADDING OR SUBTRACTING THE PROCESSED DATA ....... 5-5
 5 ADDING AND SUBTRACTING THE DATA

5.1 DISPLAYING THE OPERATE ON FILES WINDOW

Before adding or subtracting the data, you need to open the “Operate on Files” window by
using the following procedure.
 In the Delta Console window, select Process — Operate on Files.
The “Operate on Files” window opens.

Fig. 5.1 “Operate on Files” window

NMECZ-USP-1 5-1
5 ADDING AND SUBTRACTING THE DATA

5.2 ADDING AND SUBTRACTING THE MEASUREMENT

DATA (FID)
The simple addition of the measurement data (FID) is useful to improve the SN ratio. The
addition is carried out for the multiple data that are measured under the same measurement
conditions.
 If the measurement temperature changes because of long time-intervals between the
measurements, or the sample concentration changes because of a change in the
solvent quantity, the position of the peak may drift a little with time. If this occurs,
adding the measurement data (FID) broadens or even splits the peak, so that you
cannot improve the signal-to-noise ratio.
■ Simply adding the measurement data (FID)

1. Open the “Operate on Files” window.

2. Display two or more measurement data (FID) that you want to add in different
geometries.

3. On the upper left of the “Operate on Files” window, click the button the
same number of times as the number of files that you want to add.
As shown in the following figure, in the “Operate on Files” window, rows whose IDs
are f1, f2, f3, etc. Appear under “Input Data Files”.

5-2 NMECZ-USP-1
 5 ADDING AND SUBTRACTING THE DATA

4. Click the button.

The pointer changes to a finger.
5. Move the pointer to another data display area whose data you want to add and
click it.
The file name of the data you clicked appears in the “Operate on Files” window.
6. Repeat the above steps 4 and 5 to select all the data you want to add to other
rows: f1, f2, f3, etc.

7. On the lower left of the Operate on Files window, click the button.
Under “Expressions & Processing Lists”, in the ID column, the row ID：e1 appears.

NMECZ-USP-1 5-3
5 ADDING AND SUBTRACTING THE DATA

8. Verify that Expression appears in the Type column of the e1 row, click the
space at the right of the button, and type the summation equation of the
spectra in the cell.
If the addition is a simple summation of the spectra, type “f1+f2+f3+others”.

9. Click the button at the left of the equation you typed.

This displays two buttons to the right of button: the button and button.
10. Click the button.
The calculated data appears in the Data Slate window.
 If you selected the wrong data in step 5, click the button or the button to
correct them.
 The data to add or subtract must have the same measurement conditions such as
x_offset and x_sweep.
● Reference
You can process the obtained data in the same manner as for the usual 1D measurement
data.

5-4 NMECZ-USP-1
 5 ADDING AND SUBTRACTING THE DATA

5.3 ADDING OR SUBTRACTING THE PROCESSED

DATA
1. Open the “Operate on Files” window.
2. Display the two processed data that you want to add or subtract in different
geometries.

3. On the upper left of the “Operate on Files” window, click the button the
same number of times as the number of files that you want to add or subtract.
In the “Operate on Files” window, rows whose IDs are f1, f2, f3, etc. appear under
“Input Data Files”.
4. Click the button.
The pointer changes to a finger.
5. Move the pointer to one of the data display areas whose data you want to add
or subtract, and click it.
The file name of the data you clicked appears in the Files column under “Input Data
Files”.
6. As for each spectrum you want to add or subtract, repeat steps 4 and 5 to its ID.
7. At the lower left of the Operate on Files window, click the button.
Under “Expressions & Processing Lists”, in the ID column, the row ID：e1 appears.
8. Verify that Expression appears in the Type column of the e1 row, click the
space at the right of the button, and type an appropriate addition or
subtraction equation in the cell.
9. Click the button at the left of the equation you typed.
This displays two buttons to the right of the button: the button and the
button.
10. Click the button.
The calculated data appears in the Data Slate window.
 The data to add or subtract must have the same measurement conditions such as
x_offset, x_sweep, and zerofill.

NMECZ-USP-1 5-5
6.1
BATCH PROCESSING
6
DISPLAYING THE BATCH PROCESS FILES WINDOW ...... 6-1
6.2 BATCH PROCESSING OF MEASUREMENT DATA (FID) ... 6-2
 6 BATCH PROCESSING

6.1 DISPLAYING THE BATCH PROCESS FILES

WINDOW
A batch processing starts by opening the “Batch Process Files” window as shown in the
following operation.
 In the Delta Console window, select Process — Batch Process Files.
The “Batch Process Files” window opens.

Fig. 6.1 Batch Process Files window

NMECZ-USP-1 6-1
6 BATCH PROCESSING

6.2 BATCH PROCESSING OF MEASUREMENT DATA

(FID)
Batch processing processes multiple measurement data files (FID) at a time. You can also
process multiple measurement data files using a single process list.

■ To batch process the measurement data (FID)

1. Open the “Batch Process Files” window.

2. On the left side of the “Batch Process Files” window, click the button, and
then select the files that you want to batch process.

If you want to batch process the files that have a series of group numbers, click the
button above the button, and then specify the smallest group number of the files
that you want to batch process.
 A series of group numbers to batch process must have sequential numbers.
3. Click the button to load the process list of that measurement data.
If you want to process all the data using a single process list, click the button at
the bottom of the “Batch Process Files” window.

4. As necessary, click the , , , or button.

This specifies the window that displays the processed data.

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 COMBINING THE 1D NMR
7
DATA SETS
7.1 COMBINE FILES WINDOW ....................................................... 7-1
7.2 COMBINING THE 1D NMR DATA SETS ................................. 7-1
 7 COMBINING THE 1D NMR DATA SETS

7.1 COMBINE FILES WINDOW

You need to open the Combine Files window to combine the 1D NMR data sets as shown
in the following operation.
 In the Delta Console window, select Process — Combine Files.
The Combine Files window opens.

Fig. 7.1 Combine Files window

7.2 COMBINING THE 1D NMR DATA SETS

You can combine the 1D NMR measurement data (FID) to obtain a 2D NMR data.

1. Open the Combine Files window.

2. At the top of the Combine Files window, click the button, and then select the
files that you want to combine.
If you want to combine the files that have a series of group numbers, click the
button at the left of the button, and then specify the smallest group number of the
files that you want to combine.
 A series of group numbers to combine must have sequential numbers.

NMECZ-USP-1 7-1
7 COMBINING THE 1D NMR DATA SETS

3. Enter the file name in the Output File box at the lower part of the Combine Files
window.

4. On the top right side of the Combine Files window, in the Y box of the Actual
Points column in the “Output File Information” section, enter the number of the
data points in the Y-axis.
5. On the bottom right side of the Combine Files window, under Axis Info, set the
conditions of the Y-axis.
6. As necessary, click one of the following buttons: the , , , , or
button.
This specifies the window that displays the combined data.
 If you want to change the order of the data, select the data to move, and then
click the or button to move the data to a desired position.

7-2 NMECZ-USP-1
 DATA SLATE WINDOW
8
The data slate is the tool for displaying data sets and analyzing them.
You can use it for many purposes. The window can handle the 1D, 2D,
3D, and 4D NMR data files, and moreover, it can also handle multiple
data files in a window. This is contrasted with the Data Viewer window
and the Data Processor window in which you can only handle one data
set.
The data slate allows you to overlap and connect multiple data for
comparison, analysis, and plotting.

8.1 DATA SLATE WINDOW .............................................................. 8-1

8.2 OPENING THE DATA SLATE WINDOW ................................. 8-2
8.3 DISPLAYING ADDITIONAL PROCESSED DATA .................. 8-3
8.3.1 Displaying Additional Data in Another Geometry......................... 8-4
8.3.2 Overlaying Additional Data in a Single Geometry ........................ 8-5
8.4 CONTROLLING THE DISPLAY ................................................ 8-6
8.4.1 Display of Multiple Geometries ..................................................... 8-6
8.4.2 Controlling Display of Multiple Data in a Geometry..................... 8-9
8.5 PEAK PICKING AND INTEGRATION.................................... 8-12
 8 DATA SLATE WINDOW

8.1 DATA SLATE WINDOW

The Data Slate window displays multiple data that are processed already. You can display
both 1D and 2D NMR data together.

Fig. 8.1 Data display in the Data Slate window: example 1

Fig. 8.2 Data display in the Data Slate window: example 2

NMECZ-USP-1 8-1
8 DATA SLATE WINDOW

8.2 OPENING THE DATA SLATE WINDOW

1. In the Delta Console window, click the button.

The File Browser window appears.

Version display box

Open data for

Data Slate

List box

Data information
box

Fig. 8.3 File Browser window

2. In the list box, click the file name to display and verify its information in the data
information box, and select the data file that you want to load and its version
number.
3. Click the button.
The processed data (Fourier-transformed data) appear in the Data Slate window.

8-2 NMECZ-USP-1
 8 DATA SLATE WINDOW

8.3 DISPLAYING ADDITIONAL PROCESSED DATA

You can display additional processed data files in either of the following two modes.
■ Displaying additional data in another geometry ( Sect. 8.3.1)

● Reference
The geometry is an area to display the processed data.
This Data Slate window consists of two geometries.

■ Overlaying additional data in a single geometry ( Sect. 8.3.2)

NMECZ-USP-1 8-3
8 DATA SLATE WINDOW

8.3.1 Displaying Additional Data in Another Geometry

■ When the additional data are on a disk

1. In the Data Slate window, click the button.

2. Click the button.
3. Click the button.
The File Browser window opens.

Fig. 8.4 File Browser window

4. In the list box of the File Browser window, select the data file that you want to
additionally display, and click the button.
The data saved in the selected file are displayed in another geometry.

■ When the additional data is being displayed

1. In the Data Slate window, click the button.

2. Click the button.
3. Click the button.
The mouse pointer changes to a finger.
4. Move the pointer to the area where the additional data is displayed, and click it.
The data you clicked appear in another geometry.

8-4 NMECZ-USP-1
 8 DATA SLATE WINDOW

8.3.2 Overlaying Additional Data in a Single Geometry

■ When the additional data are on a disk

1. Click the geometry where you want to display the additional data.
2. Click the button.
3. Click the button.
4. Click the button.
The File Browser window opens.

5. In the list box of the File Browser window, select the data file that you want to
additionally display, and click the button.
The data saved in the selected file are added to the geometry that you selected in step 1.
 The additional data is overlaid with the primarily displayed data in a different
color. If necessary, you can change the display position (
Display that overlays multiple data in a geometry”).
 Sect. 8.4.2, “■

■ When the additional data is being displayed

1. Click the geometry where you want to display the additional data.
2. Click the button.
3. Click the button.
4. Click the button.
The mouse pointer changes to a finger.
5. Move the pointer to the area where the data file that you want to additionally
display appears, and click it.
The data you clicked are added to the geometry that you selected in step 1.
 The additional data is overlaid with the primarily displayed data. If necessary,
you can change the display position (
multiple data in a geometry”).
 Sect. 8.4.2, “■Display that overlays

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8 DATA SLATE WINDOW

8.4 CONTROLLING THE DISPLAY

8.4.1 Display of Multiple Geometries
■ To align all geometries horizontally

 In the Data Slate window, select Options — Horizontal.

The geometries are aligned horizontally.

■ To align all geometries vertically

 In the Data Slate window, select Options — Vertical.

The geometries are aligned vertically.

■ To switch the displays of two geometries

1. In the Data Slate window, select Options — Swap.

The mouse pointer changes to a finger.
2. Move the pointer to one of the geometries whose display you want to replace,
and click it.
3. Move the pointer to the other geometry that you want to replace, and click it.
The displays of the two geometries selected in steps 2 and 3 are switched.
 The above operation is effective only for the two geometries displayed in the same
Data Slate window. You cannot swap the geometries displayed in different Data Slate
windows.

■ To delete an arbitrary geometry

1. Click the geometry you want to delete.

2. Click the button.
The geometry you selected in step 1 is deleted.

■ To make the horizontal scale the same in all geometries displayed in one
Data Slate window

1. In the Data Slate window, select Options — Connect X.

This procedure adds a check mark to the Connect X menu item.
2. Expand a data in any of the geometries in the horizontal direction.
This expands the data in all geometries in the horizontal direction to the same range.
 The data sets cannot be expanded in the vertical direction.

■ To make the horizontal and vertical scales the same in all geometries
displayed in one Data Slate window

1. In the Data Slate window, select Options — Connect All.

This procedure adds a check mark to the Connect All menu item.
2. Expand a data set in any of the geometries.
This expands the data in all geometries in the horizontal and vertical directions to the
same range.

8-6 NMECZ-USP-1
 8 DATA SLATE WINDOW

■ Connecting two geometries to expand them with the same ratio

The following operation is effective for data in two geometries displayed in the same Data
Slate window, and for data in two geometries displayed in different Data Slate windows.

1. In the Data Slate window, select Tools — Geometry Tools — Connection Tool.
The Connect Geometries window opens.

Fig. 8.5 Connect Geometries window

2. In the Connect Geometries window, select Features — Zoom.
This procedure adds a check mark to the Zoom menu item.
If the Zoom check box has already been selected, you do not need to do step 2.
3. Click the button at the left of “Select Geometry 1”.
The mouse pointer changes to a finger.
4. Move the mouse pointer to the geometry in which you want to expand the data
to the same range, and click it.
The name of the file appears in the “Select Geometry 1” box.
5. Click the button at the left of “Select Geometry 2”.
The mouse pointer changes to a finger.
6. Move the pointer to another geometry in which you want to expand the data to
the same range, and click it.
The name of the file appears in the “Select Geometry 2” box.
 In this step, you can select the geometry displayed in the different Data Slate
window.

NMECZ-USP-1 8-7
8 DATA SLATE WINDOW

7. Click the button of the data axis of “Select Geometry 2” (selected in step 6) that
you want to connect with the selected data axis of “Select Geometry 1”
(selected in step 4).

Axis of the data Axis of the data

for geometry 1 for geometry 2

For example, if you want to expand the horizontal and vertical axes of two 1D data to
the same ratio, set as fbelow:
a. Click the input box at the right of the X of Source Ruler.
b. Click X in the top row of the Destination Ruler.
c. Click the input box at the right of the Y of Source Ruler.
d. Click Y in the middle row of the Destination Ruler.
 You can make a connection between a 1D data geometry and a 2D data geometry.
8. Click the button.
The two geometries are connected.
9. Expand the data of geometry 1 or geometry 2.
To the axes selected in step 7, the geometry 1 and geometry 2 data are expanded with
the same ratio.
10. Select File — Close.
The Connect Geometries window closes.

■ Disconnecting the connected geometries

1. In the Data Slate window, select Tools — Geometry Tools — Connection

Tool.
The Connect Geometries window opens.
2. Click the button at the left of “Select Geometry 1”.
The mouse pointer changes to a finger.
3. Move the pointer to one of the geometries that you want to disconnect, and
click it.
The file name appears in the “Select Geometry 1”.
4. Click the button at the left of “Select Geometry 2”.
The mouse pointer changes to a finger.
5. Move the pointer to another geometry that you want to disconnect, and click it.
The file name appears in the “Select Geometry 2”.

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 8 DATA SLATE WINDOW

6. Click the button.

The file names in the “Select Geometry 1” and “Select Geometry 2” disappear and the
geometries are disconnected.
7. Select File — Close.
The Connect Geometries window closes.

■ Setting contour lines of two 2D data to the same

1. Select two data that you want to connect.

 For the operation procedure, refer to “■ Connecting two geometries to expand
them with the same ratio” in Sect. 8.4.1.
2. Select Features — Contours in the Connect Geometries window.
3. Click the button.
4. Click the button in the Level Tool window to recalculate the contour lines
for one of the 2D data.
The program automatically sets the contour lines of the two 2D data to the same.

8.4.2 Controlling Display of Multiple Data in a Geometry

■ Display that overlays multiple data in a geometry

The first data is displayed in green, the data added next is displayed in brown, and the third
in blue.
Thus, when additional multiple data are displayed in a single geometry, each data is
displayed in a different color. Moreover, the selected-data display box is shown in the same
color as the presently selected data.

Selected-data
display box

For example, if you select the second data, the selected-data display box is shown in brown
for the real data and purple for the imaginary data.
Color for real data
Color for imaginary data
Also, the scales for the X-ruler and Y-ruler change corresponding to the data that is
presently selected.

NMECZ-USP-1 8-9
8 DATA SLATE WINDOW

■ Changing the selected data

 Click the tab above the spectrum area in the Data Slate window.
The data for the clicked-tab is displayed.
Every time you click a tab, the colors of the selected-data display box changes. The colors
of the selected-data display box represent the display color of the currently selected data.

■ Changing the display position of the selected data in the Y-axis direction

1. Select the data whose position you want to change in the Y-axis direction.
 For the operation procedure, refer to the previous section, “■Changing the
selected data”.
2. Click the button on the pointer bar.
The button is highlighted in blue.
3. Move the pointer to the processed-data display area. While pressing the Alt
and Shift key, hold down the left mouse button.
While the Alt key is pressed, the button is highlighted in blue. Also, while the
Shift key is pressed, the button is highlighted in blue.
When the button is highlighted in blue, you can only process the data of the
selected layer. When the button is highlighted in blue, the direction of process is
limited.
4. Drag the pointer in the Y-axis direction to the position where you want to
display the data, and release it.
The data selected in step 1 move in the Y-axis direction.
 You cannot change the display position of the data that were displayed first in the
Data Slate window.

■ Changing the position of the selected data in the X-axis direction

1. Select the data whose position you want to change in the X-axis direction.
 For the operation procedure, refer to the previous section, “■Changing the
selected data”.
2. Click the button on the pointer bar.
The button is highlighted in blue.
3. Move the pointer to the processed-data display area. While pressing the Alt
and Shift key, hold down the left mouse button.
4. Drag the pointer in the X-axis direction to the position where you want to
display the data, and release it.
The data selected in step 1 move in the X-axis direction.
 You cannot change the display position of the data that were displayed first in the
Data Slate window.

8-10 NMECZ-USP-1
 8 DATA SLATE WINDOW

■ Changing the position of the selected data in X- and Y-axis directions

1. Select the data whose display position you want to change in the X- and Y-axis
directions.
 For the operation procedure, refer to the previous section, “■Changing the
selected data”.
2. Click the button on the pointer bar.
The button is highlighted in blue.
3. Move the pointer to the processed-data display area. While pressing the Alt
key, hold down the left mouse button.
4. Drag the pointer in the X- and Y-axis direction to the position where you want to
display the data, and release it.
The data selected in step 1 move in the X- and Y-axis direction.
 You cannot change the display position of the data that were displayed first in the
Data Slate window.

■ Moving the display positions of all data to the initial positions (where the
data were displayed first)

1. Click one of the buttons on the pointer bar.

2. Move the mouse pointer to the button, and hold down the left mouse button.
The list of key commands appears.
3. Drag the mouse pointer to Recenter All [A], and release it.
This moves the display positions of all the data to the initial positions.

■ Moving the display position of the selected data to the initial position
(where the data were displayed first)

1. Select the data whose position you want to move to the initial position.
 For the operation procedure, refer to the previous section, “■Changing the
selected data”.
2. Click one of the buttons on the pointer bar.
3. Move the mouse pointer to the button, and hold down the left mouse button.
A list of key commands appears.
4. Drag the pointer to Recenter [R], and release the mouse button.
This moves the display position of the data that you selected in step 1 to the initial
position.

■ Deleting the selected data

1. Select the data that you want to delete..

 For the operation procedure, refer to the previous section, “■Changing the
selected data”.
2. Click the button.
This deletes the data that you selected in step 1.

NMECZ-USP-1 8-11
8 DATA SLATE WINDOW

8.5 PEAK PICKING AND INTEGRATION

When you load a data to the Data Slate window, the program also loads the peak
information included in the data. For example, after performing peak picking and
integration in the 1D Processor window, when you load the data in the Data Slate window,
you can display the peak and integration information by making the corresponding display
option effective.
You can carry out peak picking and integration (automatic and manual) in the Data Slate
window in the same manner as in the 1D Processor window.

■ Deconvolution

When you load data into the Data Slate window, the program also loads the information on
deconvolution included in the data. If the deconvolution procedure was carried out in the
1D Processor window, when you load the data to the Data Slate window, you can display
the deconvolution results by right-clicking the mouse button and selecting Options —
Peak — Deconvolve to turn on the display option.

■ Comments

Comments are also saved together with the data. You can display the comments by
right-clicking the mouse button and selecting Options — Annotation to turn on the
display option.
You can also type comments in the Data Slate window in the same manner as in the 1D
Processor window.

■ Spread sheet tool

The spread sheet tool is used to display or print the information on the data, such as peaks,
integration and attributes.
You can use the spread sheet in the Data Slate window in the same manner as in the 1D
Processor window.

■ Printing data

You can use the button in the Data Slate window in the same manner as in the 1D
Processor window.

8-12 NMECZ-USP-1
 SPREAD SHEET
9
The spread sheet tool is used to display or print information on data,
such as peaks, integration and attributes.

9.1 SPREAD SHEET WINDOW ......................................................... 9-1

9.2 DISPLAYING RESULTS OF PEAK PICKING AND
INTEGRATION .............................................................................. 9-2
9.3 PLOTTING THE SPREADSHEET.............................................. 9-4
9.4 SAVING THE SPREADSHEET AS A CSV FILE ...................... 9-4
9.5 USING CALCULATOR PANEL .................................................. 9-5
 9 SPREAD SHEET

9.1 SPREAD SHEET WINDOW

The Spread Sheet window contains a table of the detailed results of peak picking and
integration (Fig. 9.1).

Fig. 9.1 Spread Sheet window

NMECZ-USP-1 9-1
9 SPREAD SHEET

9.2 DISPLAYING RESULTS OF PEAK PICKING AND

INTEGRATION
■ To display the results

1. In the Delta Console window, select Analyze — Peak Spreadsheet.

The Spread Sheet window opens.
2. In the Spread Sheet window, click the button.
The mouse pointer changes to a finger.
3. Move the pointer to the spectrum area of the data whose results of peak
picking and integration you want to display, and click it.
The detailed results of peak picking and integration appear in the Spread Sheet
window.

■ To Distinguish results of peak picking from integration

If you carry out peak pick and integration, the results of peak pick and integration are
displayed in the order of ppm in the Spread Sheet window. The results of peak pick and
integration can be distinguished by the symbol in Class in the Spread Sheet window as
shown in the Table 9.1.
Table 9.1 Meaning of the symbol in Class
Symbol in Class Meaning
A Automatic peak picking
M Manual peak picking
AI Automatic integration
MI Manual integration
Presently selected peak picking (X : A
SX
or M) or integration (X : AI or MI)
D Deconvolution

■ To distinguish between the results of peak pick and integration

 In the Spread Sheet window, click the button.

The display changes to the alphabetical order in Class.

9-2 NMECZ-USP-1
 9 SPREAD SHEET

■ To choose the results of integrations

1. In the Spread Sheet window, click the blank cell under the button.

The clicked cell is highlighted.

2. Type “=I” using the keyboard.
Only the results of integrations are displayed.

■ To delete the selected columns

1. Move the mouse pointer onto the item you want to delete in the Spread Sheet
window.

2. Click the middle mouse button.

The selected columns are deleted.

NMECZ-USP-1 9-3
9 SPREAD SHEET

■ Display of the currently selected peak pick and integration

When the peak pick and integration are currently selected in the Data Processor window,
the letter “S” is displayed in Class and the row is highlighted in blue.

Highlighted
in blue

In the above example, two lines are displayed in blue, showing that the peak and
integration curves are selected at present.

9.3 PLOTTING THE SPREADSHEET

 In the Spread Sheet window, click the button.
The table is plotted.

9.4 SAVING THE SPREADSHEET AS A CSV FILE

1. In the Spread Sheet window, click the button.
The Save File window appears.
2. Enter the filename in the Filename: box.

Filename box

Fig. 9.2 Save File window

3. Click the button.
The program saves the spreadsheet with the file name specified in step 2.

9-4 NMECZ-USP-1
 9 SPREAD SHEET

9.5 USING CALCULATOR PANEL

1. In the Spread Sheet window, click the Calc at the right side of the window.
The Calculator panel appears.

Fig. 9.3 Calculator panel

2. For example, when you want to add two values in the Intensity cells, select the
two Intensity cells and click the button.
The values of selected cells is added, and the result is displayed.

NMECZ-USP-1 9-5
 10 3D NMR DATA
PROCESSING
10.1 DISPLAY OF 3D DATA ............................................................... 10-1
10.1.1 3D Viewer Window...................................................................... 10-1
10.1.2 Data Slate Window....................................................................... 10-2
10.2 SLICE OPERATION OF 3D DATA ........................................... 10-3
10.2.1 How to Use 3D Slicer .................................................................. 10-3
 10 3D NMR DATA PROCESSING

10.1 DISPLAY OF 3D DATA

You can display the 3-dimensional data by using the 3D Viewer window and the Data Slate
window.

10.1.1 3D Viewer Window

In the 3D Viewer window, slice or projection data for each axis of the 3D data is arranged,
the same as in the 2D Viewer window. You can specify an area to expand and a position to
slice in any display area.

3D data
display area

XZ plane
display area
YZ plane
display area

XY plane
display area

1D data of X-axis
display area
1D data of Y-axis 1D data of Z-axis
display area display area

Fig. 10.1 3D Viewer window

NMECZ-USP-1 10-1
10 3D NMR DATA PROCESSING

10.1.2 Data Slate Window

When you display 3D data in the Data Slate window, a 3D cube is displayed.

Fig. 10.2 3D Viewer window

 If you want to change the angle to view the spectrum, click the button and drag
the spectrum in the window.
 If you select Options — Rotate, the spectrum automatically rotates. If you want to
change the rotation speed and the rotation axis, select Options — Rotation Speed,
and adjust them.

10-2 NMECZ-USP-1
 10 3D NMR DATA PROCESSING

10.2 SLICE OPERATION OF 3D DATA

When you analyze the 3D data, you must display or print many slice data. The 3D Viewer
window and the Data Slate window are not appropriate for such work. Instead, you can use
the 3D Slicer window to do such work.

10.2.1 How to Use 3D Slicer

You can use the 3D Slicer window as follows.
• You can specify the position to slice on the basis of the projection data of an
arbitrary axis, and display the corresponding data.
• You can specify the position to display the 1D data on the basis of an arbitrary
projection plane, and display the corresponding data.
For example, in order to display the XZ plane at the specified point on the Y-axis, operate
as follows.

1. Select View — 3D Slicer from the menu bar in the Delta Console window.

The 3D Slicer window appears.

2. Load a 3D data into the 3D Slicer window.

2D data
display area

1D data
display area

3D data
display area

Fig. 10.3 3D Slicer window

NMECZ-USP-1 10-3
10 3D NMR DATA PROCESSING

3. Select Layout — Show XZ 2D from the menu bar in the 3D Slicer window.

The projection data on the XZ plane is displayed in the 2D data display area.
4. Select Layout — Show 2D Slices from the menu bar in the 3D Slicer window.

The slice data of the XZ plane is displayed in the 2D data display area. At this time,
the data in the 1D data display area changes to the projection data on the Y-axis.

10-4 NMECZ-USP-1
 10 3D NMR DATA PROCESSING

5. Determine the slice position as follows.

a. In the 1D data display area, select the mode on the pointer bar.
b. In the 1D data display area, click the position where you want to slice.
The pick-position marker appears at the position where you clicked, and the slice
plane appears in the 2D data display area.

 If you want to overlay an additional slice data at another point, select Layout —
Overlay 2D Slices, and select another 1D data point in the same manner as
above.

NMECZ-USP-1 10-5
 HOW TO USE
11
PROCESSING FUNCTIONS
The Delta program has various processing functions for data processing.
Chapter 11 explains various processing functions in the order that they
displayed in the pull-down menu of 1D and nD Processor windows.

11.1 PRE TRANSFORM ...................................................................... 11-1

11.2 WINDOW ...................................................................................... 11-3
11.3 TRANSFORM ............................................................................... 11-4
11.4 POST TRANSFORM ................................................................... 11-5
11.5 DISPLAY ....................................................................................... 11-7
 11 HOW TO USE PROCESSING FUNCTIONS

11.1 PRE TRANSFORM

Item Explanation
Adaptive High Pass Performs adaptable high pass filter.
Order: Order of filter.
Width: Spectrum width.
Center: Center frequency of a spectrum.
Auto N filter Applies notch filter automatically based on the offset value.
Align Offset After shifting the offset, process the measured data.
Pivot: Specification of points.
Shift: Magnitude to shift the offset.
x: Specification of the x axis.
y: Specification of the y axis.
Auto Process Performs basic processing, such as peak picking and integration,
automatically.
Blip Performs backward linear prediction based on LPSVD(Linear
Prediction Singular Value Decomposition).
Order: The order of the operation.
Sample: Number of points to sample from the file.
Reconstruct: Number of points in the file to reconstruct.
Blip_Cld Performs backward linear prediction for cryogenic probes.
Order: The order of the operation.
Sample: Number of points to sample from the file.
Extra Reconstruct:
Number of extra correction points.
DC Balance Eliminates the signal at 0 Hz, which arises from the DC offset.
Order: The order of expansion of the polynomial.
Gain: Specification of gain.
Decimate Reduces the number of data points in order to perform digital filtering.
Factor: Ratio of number of data points to keep to number of
data points in the original data set.
Center: Shifts the center frequency by specified numerical
value.
Diagonal Filter Eliminates the signals near diagonal peaks in 2 D data.
K: Specifies the K factor in the range from 1 to 128.
Digital Filter After performing decimation, apply the digital filter to the data.
Center: The center position for filtering.
Factor: The order of decimation after digital filtering.
Transition Ratio: The ratio of the lowest cutoff frequency to the
highest passing frequency.
Pass Ripple: The maximum amplitude ripple allowed in the
passing area.
Stop Ripple: The attenuation magnitude ensured in the
attenuation area.
Elliptic Performs Ellipse II R filter in the range specified by Start and Stop.
It is applied to FID.
Filter Largest Eliminates the largest peak in the specified range by filtering.
Center: Specified value for center.
Width: Specified value for width.
K: K factor

NMECZ-USP-1 11-1
11 HOW TO USE PROCESSING FUNCTIONS

Item Explanation
Flip Performs forward linear interpolation.
Order: The order of operation
FTS Creates a data file consisting of original data from which noise is
artificially eliminated.
No.Peaks: Specifies the number of peaks to extract.
Threshold: Specifies threshold.
Extend: Expansion ratio.
Phase: Whether or not to apply the automatic phase
correction.
FTS Automatic Performs FTS automatically.
Extend: Expansion ratio.
Phase: Whether or not to apply the automatic phase
correction.
Gauss Echo Shift Performs Gaussian window and its shift value for MQMAS.
Width: Spectrum width
High Pass Performs high-pass digital filtering.
K: Reciprocal of the filter width
Hypercomplex Changes the Hypercomplex Transpose saving style.
Transpose For example; (RR,RI,IR,II) –> (RR,IR,RI,II)
Dim: Axis to change the Hypercomplex Transpose style.
Inverse Chebyshev Performs Inverse Chebyshev IIR digital filter in the range specified by
Start and Stop.
Start: Start position
Stop: Stop position
Linear Prediction Performs linear prediction.
Order: The order of the operation.
Sample: Number of points to sample from the file.
Reconstruct: Number of points in the file to reconstruct.
Notch Filter Performs notch filtering at the point specified by Shift value.
K: K factor
PN to SHR Transforms P/N type 2D data to States-Haberkorn-Ruben type data.
Dim: Axis to transform.
SHR to PN Converts States-Haberkorn-Ruben type data to P/N type data.
Dim: Axis to convert.
Shift Shifts data by the number of data points specified by Shift.
Zero fill Performs zero filling by the number of data points specified by Times.

11-2 NMECZ-USP-1
 11 HOW TO USE PROCESSING FUNCTIONS

11.2 WINDOW
Item Explanation
Blackman Applies the Blackman window function.
Blackman-Harris Applies the Blackman-Harris window function.
Cosine Applies the Cosine window function.
GAUSS Applies the Gaussian window function that is specified by Width and
Shift.
Hamming Applies the Hamming window function.
Kaiser Applies the Kaiser window function which is specified by πUnits.
Lorentzian-Gaussian Applies the Lorentzian-Gaussian window function.
Sine Applies the Sine window function.
Single Exponential Applies the Single Exponential window function with specified Width.
You can also specify the Shift value.
Single Exponential Performs the Single Exponential window function, setting the
Automatic parameters automatically by specifying decay rate with Factor.
Sinebell Automatic Applies the Sinebell window function by setting the parameters
automatically.
Sinebell Applies the Sinebell window function with the specified Shift and
Size.
Sinebell (order 2) Applies the Sinebell (order 2) window function with the specified Shift
and Size.
Sinebell (order 4) Applies the Sinebell (order 4) window function with the specified Shift
and Size.
Sinebell Shift Applies the N-shifted-Sinebell window function with the specified π/n
value.
Traf Applies the Traf window function with the specified width and Shift.
Traf Modified Applies the Traf window function with the specified width, Shift and
Pre-Slope.
Trapezoid Applies the trapezoidal window function with the specified P1, P2 and
P3.
Trapezoid 3 Applies the trapezoidal window function with the specified P2, P3 and
P4.

NMECZ-USP-1 11-3
11 HOW TO USE PROCESSING FUNCTIONS

11.3 TRANSFORM
Item Explanation
Covariance NMR The covariance NMR processing algorism.
Covariance: Performs the covariance process for the
homonuclear NMR measurement.
INADEQUATE Covariance:
Performs the covariance process for the
INADEQUATE data.
Indirect Covariance: Performs the covariance process for the
measured data of the heteronuclear correlation
spectrum.
DOSY The DOSY measurement data processing algorism.
DOSY CONTIN: Continuous type inverse Laplace
transformation. This is suitable for the data of a
system with a continuous molecular weight.
DOSY SPLMOD: Discrete type inverse Laplace transformation.
This is suitable for data in which different
component peaks are overlapped.
L-Marquardt: Nonlinear curve fitting. This is suitable for data
with few peak overlaps.
MCR: Multivariate Curve Resolve method.
This feature is that the calculation has few
parameters to set.
MCR-CONTIN: Combination of the MCR and CONTIN
methods.
MCR-LM: Combination of the MCR and L-Marquardt
methods.
MCR-SPLMOD: Combination of the MCR and SPLMOD
methods.
Decay Analysis Analyzes the decay curve.
CONTIN: Continuous type inverse Laplace
transformation. This is suitable for the data of a
system with a continuous molecular weight.
L-Marquardt: Nonlinear curve fitting. This is suitable for the
data with few overlaps of a peak.
MCR: Multivariate Curve Resolve method
This feature is that the calculation has few
parameters to set.
MCR-CONTIN: Combination of the MCR and CONTIN
methods.
MCR-LM: Combination of the MCR and L-Marquardt
methods.
SPLMOD: Discrete type inverse Laplace transformation.
This is suitable for data in which different
component peaks are overlapped.
FDM 1D Processing of the filter diagonal matrix (FDM).
FFT Fourier transforms.
Scale: Sets the multiplier for the first FID data point.
Clip: For data measured by using digital filtering, it is
usually set to TRUE. If TRUE, the number of
data points is reduced after Fourier
transformation.
Flatten Reduces the order of the multidimensional data.

11-4 NMECZ-USP-1
 11 HOW TO USE PROCESSING FUNCTIONS

Item Explanation
Hilbert Hilbert transforms: Creates an imaginary data set from a real
frequency-domain data set.
IFFT Inverse Fourier transforms.
Maximum Entropy Creates Frequency domain data from time domain data using the
Maximum Entropy method. Specify Times, Normal values and Noise
values.
NMR Pipe Transforms NMR Pipe format data and prints out to a specified file.
Projection Processes the data measured by the projection reconstruction
Reconstruction measurement method.
Shear Performs SHEARING processing for 2D data measured by the
MQ-MAS method.
Sum Plane Sums data along the axis.
Transpose Transposes matrix data. This cannot be applied for 1D data.
Unfold Unwrap folded data connected at two sweep widths simultaneously.

11.4 POST TRANSFORM

Item Explanation
Abs Converts data to absolute-value data.
Baseline Correction Base Correct: Corrects baseline rolling automatically.
Division: Select from None, Water or Cosy as the
processing type.
n Width: Number of data points to process.
Base Correct Interactive:
Correct Baseline manually.
 For details, refer to the section 2.2.6,
“Baseline correction.”
Clip Reduces sampling points. Usually, it is applied to digitally filtered
data.
DC Correct Adjusts DC offset level.
Fold Folds the spectrum centering around the position specified by a
numeric value.
Invoke Starts a Percival program.
Math Complex: Converts real data into complex data.
Log: Performs base 10 logarithm (common logarithm)
Nth Difference: Obtains the difference spectrum between the data
and the data shifted by the number of order
points.
Real: Eliminates the imaginary component.
Real Format: Creates a file of only the real part of the data.
Reorder: Changes the dimension of the file.
Reverse: Transposes data points symmetrically to center
point.
Subtract Background:
Subtracts the background data (separately
measured) from the data.

NMECZ-USP-1 11-5
11 HOW TO USE PROCESSING FUNCTIONS

Item Explanation
Phase Apply Phase: Applies P0, P1 and PP, which are set to numerical
values, to actual data file.
Automatic Phase: Corrects phase by P0 and P1 automatically.
When Hold P1 is set to TRUE, the phase is
corrected by only P0.
Digital Filter Phase: Correct for phase distortion caused by digital
filter to the original phase.
Machine Phase: Corrects phase automatically taking pulse width,
filter type, filter-band width, dead time and delay
time into considering.
Phase Correct: Corrects phase on the basis of the phase
information written in the pulse sequence.
Phase Exclude: Eliminates the information on the data specified
by Center and Width, and corrects phase
automatically, taking pulse width, filter type,
filter-band width, dead time and delay time into
consideration.
Reference Performs Deconvolution with Lorentzian for the peak that is specified
Deconvolution by Center, Width and Line_Width values.
Ridge Detects a ridge and eliminates it in the range which is specified by
StartCoord and StopCoord.
Scale Adjusts the scale to the specified value.
Smooth Performs smoothing processing.
Sub Set Selects a part of the data and outputs it. Select dimension with Dim
and specify the range by Start and End.
Symmetrize Performs symmetrization. Select either Cosy, J-Resolve, Inadequate or
Filter for processing type. Moreover, you can specify Threshold.
Tilt Performs Tilt processing with the specified Angle value.
Zero Region Replaces the region specified by Start and Stop with the value of
ZERO or NOIZE.

11-6 NMECZ-USP-1
 11 HOW TO USE PROCESSING FUNCTIONS

11.5 DISPLAY
Item Explanation
Copy Data Copies the data to the specified directory.
Display Signal / Noise Displays the SN value calculated by the specified method for the
specified range in the Delta Console window.
Display window Displays processed data in the Data Slate window.
Export File Converts the data to the file type specified by Format, and outputs it in
the foreign_data directory.
Hertz Sets unit to Hertz.
Integrals Apply Integral: Performs integration according to the integration
range specified by TemplateFile which is created
by the Transfer Integral Tool.
Integrate Region: Performs integration in the range that is specified
by Start and Stop.
Mask: Sets the signal intensity in the range where the
data is not integrated to zero.
Normalize Smallest Integral :
Sets the Normal value to the integration value of
the minimum peak and performs the same
processing as Auto Integrate.
Normalize Tallest Integral :
Sets the Normal value to the integration value of
the maximum peak and performs the same
processing as Auto Integrate.
Peak Deconvolve: Performs deconvolution.
Peak Chop: When the difference between the height of the
highest peak specified by Peaks and the height of
the next highest peak is larger than the value
specified by Max, the parts of peaks whose height
is smaller than that of Max are displayed.
Peak Limit: Restricts the number of peak-pickings to the
number specified by Limit.
Print Peak Width: Calculates the line width of an arbitrary height
peak. You can confirm the result by Report of File
Information.
Solvent peak limit: Omits solvent peaks or reference peaks.
Peak Pick / Integrate Performs peak picking automatically with the value specified by
J-coupling, detects the peaks having peak width specified by
IntegWidth, and integrates them.
Plot Plot: Prints.
Plot Expand Integrals:
Prints the integrated areas of data.
Presentation Plot: Prints with the format specified by Presentation
Manager.
Print Integral List: Prints integrations list.
Print Peak List: Prints peak lists.
PPM Set unit to ppm.

NMECZ-USP-1 11-7
11 HOW TO USE PROCESSING FUNCTIONS

Item Explanation
Reference Automatic Reference:
Sets reference automatically.
Copy Reference: Specifies source list and copies the reference
information.
Linear Reference: Sets the position specified by Center to the value
specified by Beta as a reference.
Moreover, expands/contracts the scale by the
value specified by Alpha.
Performs the reference process by linear
transformation.
x' = α∗(x－center) + β
Maximum Reference:
Detects the maximum peak in the range specified
by Ref and Width, and sets the detected peak to
the reference specified by Ref.
Reference: Sets the position specified by Position to the value
specified by Reference.
Unreference: When a reference has already been set, returns to
the original state.
Save Saves the processed data with the name specified by Filename.
Scale Axis Range Changes the scale of the axis.
Stop Stops data processing.
Threshold Expands threshold level with the value specified by Multi.
TSC Database Creates TSC data base file.

11-8 NMECZ-USP-1
 DISPLAY FUNCTIONS OF
12
PROCESSING DATA
If you click the right button on a data processing screen, such as 1D
Processor, Data Slate and 2D Viewer, a pop-up menu appears.
Chapter 12 explains the contents of the pop-up menu. The displayed
items change according to the display window and the set-up mode.

12.1 POP UP MENU IN 1D DATA SCREEN .................................... 12-1

12.1.1 Pop-Up Menu ............................................................................... 12-1
12.1.2 Setting Each Item ......................................................................... 12-4
12.2 POP-UP MENU IN 2D DATA SCREEN .................................... 12-8
12.2.1 Pop-Up Menu ............................................................................... 12-8
12.2.2 Setting Each Item ....................................................................... 12-11
12.3 POP-UP MENU IN LEVEL TOOL .......................................... 12-16
12.3.1 Pop-Up Menu ............................................................................. 12-16
12.3.2 Setting Each Item ....................................................................... 12-17
 12 DISPLAY FUNCTIONS OF PROCESSING DATA

12.1 POP UP MENU IN 1D DATA SCREEN

This section explains the pop-up menu displayed on the 1D data screen of 1D Processor,
Data Slate and 2D Viewer.

12.1.1 Pop-Up Menu

Clicking the right button of the mouse on the geometry of the 1D Processor or the Data
Slate window displays a pop-up menu as shown in Fig. 12.1.

Pop-up menu

Fig. 12.1 Pop-up menu on the 1D data

NMECZ-USP-1 12-1
12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Pop-up menu for every mode class set in the pointer bar

The pop-up menu changes with the mode of the pointer bar (Fig. 12.2).
At modes except :
Measure, Cursor, Annotation,Create rectangle
(Annotation), and Create arrow (Annotation) modes
Level Tool [¥]
Layers
Options
Display Modes
Draw Components
Logarithm Base
Display Units
Save Current View [V]
Restore Saved View [Shift-V]
Export To
Copy Geometry to Clipboard [^+C]
Copy Attributes top Paste Butter

At Measure mode At Cursor mode

Level Tool [¥] Level Tool [¥]
Layers Layers
Options Options
Display Modes Display Modes
Draw Components Draw Components
Logarithm Base Logarithm Base
Display Units Display Units
Measure Labels Cursor Labels
Measure Font Size Cursor Font Size
Measure Decimal Precision Cursor Decimal Precision
Save Current View [V] Save Current View [V]
Restore Saved View [Shift-V] Restore Saved View [Shift-V]
Export To Export To
Copy Geometry to Clipboard [^+C] Copy Geometry to Clipboard [^+C]

At Annotation mode
Level Tool [¥]
Layers
Options
Display Modes
Draw Components
Logarithm Base
Display Units
Color
Font
Size
Attribute
Outline
Rotation
Alignment
Save Current View [V]
Restore Saved View [Shift-V]
Export To
Copy Geometry to Clipboard [^+C]

At Create rectangle At Create arrow

(Annotarion) mode (Annotation) mode
Level Tool [¥] Level Tool [¥]
Layers Layers
Options Options
Display Modes Display Modes
Draw Components Draw Components
Logarithm Base Logarithm Base
Display Units Display Units
Color Line Style
Save Current View [V] Color
Restore Saved View [Shift-V] Save Current View [V]
Export To Restore Saved View [Shift-V]
Copy Geometry to Clipboard [^+C] Export To
Copy Geometry to Clipboard [^+C]

 Items in red letters change according to the mode.

Fig. 12.2 Pop-up menus for each mode class

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 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Menu items

Item Explanation Display of item

Level Tool [\] Displays the Level Tool window. All mode
Overlays Changes the display of overwritten spectrums.
Options Sets the display item.
Display Modes Changes the display that shows a normal spectrum
and its phase to the display where they are seen
from the x-axis (time or frequency axis) direction.
Draw Components Selects the real data or the imaginary data to
display.
Logarithm Base Changes the unit for logarithm display.

Display Units Changes a unit of the x-axis.

Save Current View Save the currently displayed range.
Restore Saved View Returns to the previous settings.
Export To Displays the data in a new window.
Copy Geometry to Copies the current geometry to the clipboard.
Clipboard Ctrl-c
Copy Attributes top Paste Copies the attributes to paste buffer.
Butter
Measure/Cursor Labels Changes the setting item for Cursor and Measure. Measure/
Cursor mode
Measure/Cursor Font Size Changes the font size for displaying Cursor and
Measure.
Measure/Cursor Decimal Changes the decimal points position for displaying
Precision Cursor and Measure.
Color Changes the color of the selected text. Annotation mode
Font Changes the font of the selected text. （when text appears）

Size Changes the font size of the selected text.

Attribute Changes the character style of the selected text.
Outline Changes the outline of the selected text.
Rotation Changes the direction of the selected text.
Alignment Changes the alignment of the selected text.
Color Changes the color of the selected box. Create rectangle
mode
Line style Changes the style of the selected line. Create arrow mode
Color Changes the color of the selected line.

NMECZ-USP-1 12-3
12 DISPLAY FUNCTIONS OF PROCESSING DATA

12.1.2 Setting Each Item

The items on the display differ according to the display window and the mode setting.
■ Options

Item Explanation
Annotations [Alt-A] Displays the notes that are set in the Annotation mode.
Cursors [Alt-C] Displays the cursor that is set in the Cursor mode.
Measure [Sh-Alt-H] Displays the measuring range that is set in the Measure mode.
PiP Windows [Alt-W] Displays the area of the PIP box that is set in the PIP mode on the spectrum.
Regions [Alt-R] Displays the area that is set in the Region mode.
Integral Integrals [Alt-I]: Displays the integration curves that are set
in the Integral mode.
Integral Value [Alt-Q]: Displays the integration value.
Peak Integration [Alt-E]: Integrates the peaks that are picked up.
Peak Center of Mass [Sh-Alt-W]: Calculates the center of the peak from the
integration values and peak positions of two
peaks, and displays it.
Deconvolve [Alt-K]: Displays the result of deconvolution.

Deconvolve Sum [Alt-H]: Displays the spectra obtained by

deconvolution.
Deconvolve Unselected Displays all results obtained by
[Sh-Alt-K]: deconvolution.
Draw Peaks [Sh-Alt-U]: Draws a triangle on the peaks selected in
the peak picking.
Draw Unselected peaks Draws a triangle on the peaks unselected in
[Sh-Alt-V]: the peak picking.
Peak Above [Alt-U]: Displays peak-position values above the
peaks.
Peak Top Marks Displays peak top marks.
Peak Pick [Alt-P]: Displays the peak information when in any
mode other than Peak mode.
Peak Groups: Groups the peak marks.
Sequence: On the basis of the information that is
written in the spreadsheet, draws lines
between peaks and controls the display of
the peak information.
Molecules Atom Numbers [Sh-Alt-A]: Numbers the skeleton of molecular
structural formula that is displayed on the
geometry.
Atom Select Numbers Numbers the selected skeleton.
[Sh-Alt-S]:
Atom Sequence [Sh-Alt-Q]: Displays the correlation between the
selected skeleton and peaks.
Molecules [Sh-Alt-M]: Displays the structure set in the molecular
mode when displaying in any mode other
than Molecular mode.
Molecule Border [Sh-Alt-D]: Displays a frame on the molecule.
Molecule Title [Sh-Alt-T]: Displays the title of molecule.

12-4 NMECZ-USP-1
 12 DISPLAY FUNCTIONS OF PROCESSING DATA

Item Explanation
Data Data [Alt-D]: Displays data.
Data Points[Alt-N]: Displays the marker on each data points.
Statistics [Alt-T]: Displays base level, noise level and
threshold level of peak.

Center Contour Levels In 2 D data display, redisplays the data

Around Baseplane: based on the statistics that are set initially.

Trace Model [Sh-Alt-L]: In linearized display of a selected peak,

points near the peak top are connected by a
smooth curve.
Trace Profile [Sh-Alt-F]: In linearized display of a peak, points near
the peak top are connected with a line.
Extra Data Color solid: An appropriate color is used for the
projection of 2D/3D space.
Phase Value Maintained Keeps the phase values.
Step to Step:
Contour Symmetrically: Makes the positive and negative contour
lines symmetrical.
Display Grid[Alt-G]: Displays grid lines.
PiP Zoom Factor: Displays the ratio to the original spectrum.
Plot Border[Sh-Alt-B]: Displays the frame of the Plot box.
Plot Zero Line: Displays a line for the zero level.
Lager Tabs[Sh-Alt-O]: In overwrite, displays a tab in which selects
spectrum.
Scan To Threshold Turn this on if you want to search a slice
[Sh-Alt-R]: data set automatically using threshold level.
Show Zoom Overview Displays the navigator for expansion.
Window [Sh-tab]:
Wrap data [Sh-Alt-Space]: Wraps the data.
File Information All Lager,[Alt-O]: In overwriting, displays file names of all
spectra.
Clipped Indicator: Displays whether FID overflows (is
clipped).
Comment [Sh-Alt-C] Displays comment.
File Name [Alt-F] Displays file name.
Selected Header Params Displays the selected parameters
[Sh-Alt-P]:
Shadow Dimensions [Alt-B]: Displays the position of a slice data set by
point, percent or second.
Ruler X Ruler [Alt-X]: Displays the x-axis.
Y Ruler [Alt-Y]: Displays the y-axis.
Logarithmic X Ruler Displays the x-axis with logarithmic
[Sh-Alt-X]: scaling.
Ruler Unit Abbreviated Abbreviates the ruler unit.
Show Axis Name: Displays the name of the axis.
Show Number of Points Displays point numbers on the x-axis.
[Sh-Alt-E]:

NMECZ-USP-1 12-5
12 DISPLAY FUNCTIONS OF PROCESSING DATA

Item Explanation
Show Ruler Type Display ruler type on the x-axis.
[Sh-Alt-G]:
Show Ruler Unit: Display a unit of the scale.
Display Clock Time X: Displays with human time.

■ Logarithm Base

Item Explanation
2 Displays as base two logarithms.
e Displays as natural logarithms.
10 Displays as common logarithms.

■ Display Units

Item Explanation
Hertz Displays the x-axis in Hertz.
ppm Displays the x-axis in ppm.
Percent Displays the x-axis in percent.
Points Displays the x-axis in points.
Reset Returns to the initial settings.
Cycle [Sh+I] Returns to the settings of the previous step.
Peak Units Hertz: Displays the chemical shift of picked peak in Hertz.
ppm: Displays the chemical shift of picked peak in ppm.
Percent: Displays the chemical shift of picked peak in percent.
Points: Displays the chemical shift of picked peak in points.
Ruler Units: Displays the chemical shift of picked peak in the same unit
as that of the x-axis ruler.
Measure/Cursor Unit Hertz: Displays the unit of measure and cursor as hertz.
ppm: Displays the unit of measure and cursor as ppm.
Percent: Displays the unit of measure and cursor as percent.
Points: Displays the unit of measure and cursor as points.
Ruler Units: Displays the unit of measure and cursor in the same unit as
that of the x-axis ruler.

■ Measure/Cursor Labels

Item Explanation
Show Measure X Shows the X distance of measure and the X position of cursor when
Measure/Cursor is not selected.
Show Measure Amplitude Shows the peak intensity at the Measure/Cursor position when
Measure/Cursor is not selected.
Show Measure All Shows information about unselected Measure/Cursor.
Show Measure None Does not show information about an unselected Measure/Cursor.

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 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Measure/Cursor Font Size

Item Explanation
6 to 38 Changes the font size in a range from 6 to 38.
Default Sets the font size to the default value.

■ Measure/Cursor Decimal Precision

Item Explanation
1 to 12 Changes decimal places in a range from 1 to 12 digits.
Default Sets decimal places to the default value.

■ Draw Components

Item Explanation
Draw Real [Sh-1] Displays real data.
Draw Imag [Sh-2] Displays imaginary data.

■ Export To

Item Explanation
Data Processor[Alt-Ctrl-1] Opens the data by 1D Data Processor.
Data slate [Alt-Ctrl-2] Opens the data by Data Slate.
Data Slicer [Alt-Ctrl-2] Opens the data by Data Slicer.
Phaser [Alt-Ctrl-2] Opens the data by 2D Phaser.
Viewer [Alt-Ctrl-2] Opens the data by 2D Viewer.

NMECZ-USP-1 12-7
12 DISPLAY FUNCTIONS OF PROCESSING DATA

12.2 POP-UP MENU IN 2D DATA SCREEN

This section explains the pop-up menu displayed on the 2D data screen of Data Slate and
2D Viewer.

12.2.1 Pop-Up Menu

Clicking the right button of the mouse on the geometry of the Data Slate or 2D Viewer
window displays a pop-up menu as shown in Fig. 12.3.

Fig. 12.3 Pop-up menu on the 2D data

12-8 NMECZ-USP-1
 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Pop-up menu for every Mode Class setting

The pop-up menu changes with the mode of pointer bar (Fig. 12.4).
At modes except : At Annotation mode
Measure, Cursor, Annotation, Create rectangle Level Tool [¥]
(Annotation), and Create arrow (Annotation) modes Layers
Options
Level Tool [¥] Display Modes
Layers Draw Components
Options Logarithm Base
Display Modes Display Units
Draw Components Color
Logarithm Base Font
Display Units Size
Peak Positions Attribute
Datadex 1D Outline
Datadex 2D Rotation
Save Current View [V] Alignment
Restore Saved View [Shift-V] Peak Positions
Contour Bounds Datadex 1D
Export To Datadex 2D
Copy Geometry to Clipboard [^+C] Save Current View [V]
Copy Attributes top Paste Butter Restore Saved View [Shift-V]
Contour Bounds
Export To
Copy Geometry to Clipboard [^+C]
At Measure mode
Level Tool [¥]
Layers At Create arrow
Options (Annotation) mode
Display Modes Level Tool [¥]
Draw Components Layers
Logarithm Base Options
Display Units Display Modes
Measure Labels Draw Components
Measure Font Size Logarithm Base
Measure Decimal Precision Display Units
Peak Positions Line Style
Datadex 1D Color
Datadex 2D Peak Positions
Save Current View [V] Datadex 1D
Restore Saved View [Shift-V] Datadex 2D
Contour Bounds Save Current View [V]
Export To Restore Saved View [Shift-V]
Copy Geometry to Clipboard [^+C] Contour Bounds
Export To
Copy Geometry to Clipboard [^+C]
At Cursor mode
At Create rectangle
Level Tool [¥]
Layers
(Annotation) mode
Options Level Tool [¥]
Display Modes Layers
Draw Components Options
Logarithm Base Display Modes
Display Units Draw Components
Cursor Labels Logarithm Base
Cursor Font Size Display Units
Cursor Decimal Precision Color
Peak Positions Peak Positions
Datadex 1D Datadex 1D
Datadex 2D Datadex 2D
Save Current View [V] Save Current View [V]
Restore Saved View [Shift-V] Restore Saved View [Shift-V]
Contour Bounds Contour Bounds
Export To Export To
Copy Geometry to Clipboard [^+C] Copy Geometry to Clipboard [^+C]

 Items in red letters change according to the mode.

Fig. 12.4 Pop-up menus for each mode class

NMECZ-USP-1 12-9
12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Menu items

Item Explanation Display of item

Level Tool [¥] Displays the Level Tool window. All modes
Overlays Changes the display of overwritten spectrums.
Options Sets the display item.
Display Modes Changes the display type of the spectrum
Draw Components Selects the real data or the imaginary data to
display.
Logarithm Base Changes a unit for logarithm display.
Display Units Changes a unit of the x-axis.
Peak Positions Sets the display position of the peak.
Datadex 1D Sets slice display of 1D data.
Datadex 2D While displaying Datadex 1D, returns it to 2D
data.
Save Current View [V] Saves the currently displayed range.
Restore Saved View Loads the saved display conditions.
[Shift-V]
Contour Bounds Sets conditions on the contour lines
Export To Displays the data in a new window
Copy Geometry to Copies the current geometry to the clipboard
Clipboard [Ctrl-C]
Copy Attributes to Paste Copies the attributes to paste butter.
Butter
Measure/Cursor Labels Changes the setting item for Cursor and Measure. Measure
Cursor mode
Measure/Cursor Font Size Changes the font size for displaying Cursor and
Measure.
Measure/Cursor Decimal Changes the position of decimal points for
Precision displaying Cursor and Measure.
Color Changes the color of the selected text. Annotation mode
( when text appears)
Font Changes the font of the selected text.
Size Changes the font size of the selected text.
Attribute Changes the character style of the selected text.
Outline Changes the outline of the selected text.
Rotation Changes the direction of the selected text.
Alignment Changes the alignment of the selected text.
Color Changes the color of the selected box. Create rectangle
mode
Line style Changes the style of the selected line. Create arrow mode
Color Changes the color of the selected line.

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 12 DISPLAY FUNCTIONS OF PROCESSING DATA

12.2.2 Setting Each Item

The items on the display differ according to the display window or the mode setting.
■ Options

Item Explanation
Annotations[Alt-A] Displays notes when a mode other than Annotation is selected.
Cursors[Alt-C] Displays a cursor when a mode other than Cursor is selected.
Measure[Sh-Alt-H] Displays the measuring range when a mode other than Measure is selected.
PiP Windows[Alt-W] Displays the area of the PIP box on the spectrum when a mode other than PiP
is selected.
Regions[Alt-R] Displays the area of the created region when a mode other than Region is
selected.
Integral Integrals [Alt-I]: Displays the integration curves that are set
in the Integral mode.
Integral Value [Alt-Q]: Displays the integration value.
Peak Center of Mass [Sh-Alt-W]: Calculates the center of the peak from the
integration values and peak positions of
two peaks, and display it.
Peak Pick [Alt-P]: Displays the peak information when in
any mode other than Peak mode.
Sequences: On the basis of the information which is
written in the spreadsheet, draws the line
between peaks and controls the display of
the peak information.
Sequence Marker [Alt-M]: Displays cursor on the selected peak after
peak-picking.
Molecules Atom Numbers [Sh-Alt-A]: Numbers the skeleton of molecular
structural formula that is displayed on the
geometry.
Atom Select Numbers Numbers the selected skeleton.
[Sh-Alt-S]:
Atom Sequence [Sh-Alt-Q: Displays the correction between the
selected skeleton and peaks.
Molecule Border [Sh-Alt-D]: Displays a frame on the molecule.
Molecule Title [Sh-Alt-T]: Displays the title of molecule.
Data Data [Alt-D]: Displays data.
Data Points [Alt-N]: Displays data points.
Line Hinding [Alt-L]: In the stack display, does not display the
behind line of the stacking data.
Statistics [Alt-T]: Displays base level, noise level and
threshold level of peak.
Center Contour Levels Corrects indication of contour plot based
Around Baseplane Portion: on the statistics that is set initially.
Extra Data Color Solid: Changes color when projection is
performed on the surface of the cube in
3D display.
Contour Symmetrically: Makes the positive and negative contour
lines symmetrical.

NMECZ-USP-1 12-11
12 DISPLAY FUNCTIONS OF PROCESSING DATA

Item Explanation
Display Grid [Alt-G]: Displays grid lines.
Perspective [Alt-V]: Changes display in 3D display.
PiP Zoom Factor Displays the zoom ratio to the original
spectrum.
Plot Border [Sh-Alt-B]: Display the frame of the Plot box.
Layer Tabs [Sh-Alt-O]: In case of spectra are displayed as stacking
layer, displays tabs which select each
spectrum.
Scan to Threshold [Sh-Alt-R]: Turn this on if you want to search a slice
data set automatically using threshold
level.
Show Zoom Overview Displays the zoom navigator.
Window [Sh-tab]:
Wrap data [Sh-Alt-Space]: Wraps the data.
File Information All Lagers [Alt-O]: In overwriting, displays file names of all
spectra.
Clipped Indicator: Displays whether FID overflows (is
clipped) or not.
Comment [Sh-Alt-O]: Displays comment.
File Name [Alt-F]: Displays file name.
Selected Header Params Displays the selected parameters.
[Sh-Alt-G]:
Shadow Dimensions [Alt-B]: Displays the position of a slice data in a
unit, such as point, percent or second.
Ruler X Rule [Alt-X]: Displays the x-axis.
Y Ruler [Alt-Y]: Displays the y-axis.
Z Ruler [Alt-Z]: Displays the z-axis.
Logarithmic X Ruler Displays the x-axis with logarithmic
[Sh-Alt-X]: scaling.
Logarithmic V Ruler Displays the y-axis with logarithmic
[Sh-Alt-Y]: scaling.
Ruler Unit Abbreviated: Omits the ruler unit.
Show Axis Name: Displays the axis name
Show Number of Points Displays point numbers on the x-axis.
[Sh-Alt-E]:
Show Ruler Type [Sh-Alt-G]: Display the ruler type on the x-axis.
Show Ruler Unit: Displays the unit of the scale.
Display Clock Time X: Displays the x-axis with human time.
Display Clock Time Y: Displays the y-axis with human time.

■ Logarithm Base

Item Explanation
X Ruler Selects logarithm display from 2, e and 10.
Y Ruler Selects logarithm display from 2, e and 10.

12-12 NMECZ-USP-1
 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Display Units

Item Explanation
X Ruler Hertz Displays the x-axis in Hertz.
ppm Displays the x-axis in ppm.
Percent Displays the x-axis in percent.
Point Displays the x-axis in points.
Reset Returns to the initial settings.
Cycle [Shift-I] Switches the X-axis unit in the order of Hertz, ppm, Percent and Point.
Peak Units Hertz: Displays the chemical shift of the picked peak in hertz.
ppm: Displays the chemical shift of the picked peak in ppm.
Percent: Displays the chemical shift of the picked peak in
percent.
Point: Displays the chemical shift of the picked peak in point.
Ruler Displays the chemical shift of the picked peak in the
Units: same unit as that of the X-axis ruler.
Measure/Cursor Hertz: Displays the unit of measure and cursor as hertz.
Units
ppm: Displays the unit of measure and cursor as ppm.
Percent: Displays the unit of measure and cursor as percent.
Point: Displays the unit of measure and cursor as points.
Ruler Displays the unit of measure and cursor in the same unit
Units: as that of the x-axis ruler.
Y Ruler Hertz Displays the y-axis in hertz.
ppm Displays the y-axis in ppm.
Percent Displays the y-axis in percent.
Point Displays the y-axis in points.
Reset Returns to the initial settings.
Cycle [Shift-I] Switches the X-axis unit in the order of Hertz, ppm, Percent and Point.
Peak Units Hertz: Displays the chemical shift of the picked peak in hertz
ppm: Displays the chemical shift of the picked peak in ppm
Percent: Displays the chemical shift of the picked peak in percent
Points: Displays the chemical shift of the picked peak in point
Ruler Displays the chemical shift of the picked peak in the
Units: same unit as that of the y-axis ruler.
Measure/Cursor Hertz: Displays the unit of measure and cursor as hertz.
Units
ppm: Displays the unit of measure and cursor as ppm.
Percent: Displays the unit of measure and cursor as percent.
Points: Displays the unit of measure and cursor as points.
Ruler Displays the unit of measure and cursor in the same unit
Units: as that of the y-axis ruler.

NMECZ-USP-1 12-13
12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Peak positions

Item Explanation
Show Peak Pos X Displays position on the x-axis for the selected peak.
Show Peak Pos Y Displays position on the y-axis for the selected peak.
Show Peak Pos All Displays position on the x and y axes for the selected peak.
Show Peak Pos None Does not display information on Peak Positions.

■ Measure/Cursor Labels

Item Explanation
Show Measure X Shows the x-length of the measure and the x-position of the cursor when
Measure/Cursor is not selected.
Show Measure Y Shows the y-length of the measure and the y-position of the cursor when
Measure/Cursor is not selected.
Show Measure Dist Shows the length of the measure and the signal intensity at the position
of the cursor when Measure/Cursor is selected.
Show Measure All Shows the information on the Measure/Cursor.
Show Measure None Does not show the information on the Measure/Cursor.

■ Measure/Cursor Font Size

Item Explanation
6 to 38 Changes the font size in a range from 6 to 38.
Default Sets the font size to the default value.

■ Measure/Cursor Decimal Precision

Item Explanation
1 to 12 Changes decimal places in a range from 1 to 12 digits.
Default Sets decimal places to the default value.

■ Draw Components

Item Explanation
Draw Above Baseplane Displays the positive spectrum.
[Sh-1]
Draw Below Baseplane Displays the negative spectrum.
[Sh-2]

■ Datadex1D

Item Explanation
X Displays the slice data on the x-axis for the selected area in the Data
Slate.
Y Displays the slice data on the y-axis for the selected area in the Data
Slate.

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 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Datadex2D

Item Explanation
X,Y Returns to the 2D display.

■ Contour Bounds

Item Explanation
Set Upper Bound Sets the signal intensity on the cursor position to the upper limit for the
contour plot.
Set Lower Bound Sets the signal intensity on the cursor position to the lower limit for the
contour plot.
Set Threshold Sets a bias for the contour plot. Clicking the desired contour line by the
middle button of a mouse sets the height of the contour line to the value
of the threshold.

■ Export To

Item Explanation
Data Processor[Alt-Ctrl-1] Opens the data by nD Data Processor.
Data slate [Alt-Ctrl-2] Opens the data by Data Slate.
Data Slicer [Alt-Ctrl-2] Opens the data by Data Slicer.
Phaser [Alt-Ctrl-2] Opens the data by 2D Phaser.
Viewer [Alt-Ctrl-2] Opens the data by 2D Viewer.

NMECZ-USP-1 12-15
12 DISPLAY FUNCTIONS OF PROCESSING DATA

12.3 POP-UP MENU IN LEVEL TOOL

This section explains the pop-up menu displayed on the Level Tool window.

12.3.1 Pop-Up Menu

Clicking right button of the mouse on the geometry of the Level Tool window displays a
pop-up menu as shown in Fig. 12.5.

Pop-up menu

Fig. 12.5 Pop-up menu on Level Tool

■ Pop-up menu for each mode

The pop-up menu changes with the setting of mode and the displayed data (Fig. 12.6).
At Level mode At Color mode
Preserve On/Off State Preserve On/Off State
Preserve Attributes Preserve Attributes
Statistics [Alt-T] Statistics [Alt-T]
1 Level Per Button [1] 1 Level Per Button [1]
3 Level Per Button [3] 3 Level Per Button [3]
7 Level Per Button [7] 7 Level Per Button [7]
Line Limit [L] Line Limit [L]
Drawing Options Drawing Options
Auto Apply [A] Auto Apply [A]
Auto Apply All [U] Auto Apply All [U]
Switch to Colors [C] Switch to Levels [C]
Reset Levels [R] Reset Color Button [R]
Put Away[Esc] Save Options[S]
Put Away[Esc]

 Items in red letters change according to the mode.

Fig. 12.6 Pop-up menus

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 12 DISPLAY FUNCTIONS OF PROCESSING DATA

■ Menu items

Item Explanation Display of item

Preserve On/Off State Saves the state displayed on Level Tool. All modes
Preserve Attributes Saves the Level Tool settings.
Statistics [Alt－T] Turn on/off the Level Tool statistics mode.
1 Level Per Button [1] Sets the number of contour lines per unit to 1.
3 Level Per Button [3] Sets the number of contour lines per unit to 3.
7 Level Per Button [7] Sets the number of contour lines per unit to 7.
Line Limit [L] Sets a limit to the contour line.
Drawing Options Sets the display conditions of the contour line.
Auto Apply [A] Applies the operation on Level Tool automatically.
Auto Apply All [U] Applies all of the operations on Level Tool
automatically.
Put Away [Esc] Closes Level Tool window.
Reset Level[R] Resets the level. Level mode
Switch to Colors[C] Changes to the color mode.
Switch to Levels[C] Changes to the level mode.
Reset Color Button[R] Resets the color button. Color mode
Save Options [S] Saves the current state.

12.3.2 Setting Each Item

■ Drawing Options

Item Explanation
Smooth Performs antialiasing of the color display in the geometry.
Dither Performs dither processing for the geometry display.
Blend For the 3D geometry display, smoothes the border between the contour
line and the background.
Backface Culling Neglects the object behind the object displayed on the geometry of the
3D data.
Double Side Performs the double side process to the object displayed on the
geometry of the 3D data.
Never Transparent Does not Perform the transparence process to the object displayed on
the geometry of the 3D data.
Always Transparent Always performs the transparence process to the object displayed on the
geometry of the 3D data.

NMECZ-USP-1 12-17
 INDEX

Comment .......................................................... 2-31, 3-34

Changing the font and size of the comment .......... 2-32
１ Creating a comment .............................................. 2-31
Editing a comment ................................................ 2-32
Moving a comment ............................................... 2-32
1D data processing ....................................................... 2-5
Connect Geometries window ....................................... 8-7
1D NMR data
Contour line
Combining............................................................... 7-1
Adjusting Levels of the Contour Lines ........ 3-13, 3-16
1D Processor window ........................................... 1-3, 2-1
Copy Position mode................................................... 1-12
1D slice data
CSV file
Loading and Processing ........................................ 3-18
Saving the spreadsheet as a CSV file ...................... 9-4
Cursor mode .............................................................. 1-14
Curve Analysis window ............................................... 1-6
２
2D Viewer window ...................................................... 1-5 Ｄ
Data
３ Loading a data file ................................................ 1-39
Loading a data file to the specified window.......... 1-41
3D data Searching for data ................................................. 1-42
Display of 3D data ................................................ 10-1 Data directory ............................................................ 1-41
Slice operation....................................................... 10-3 Data information box ................................................. 1-39
3D Slicer window ............................................... 1-6, 10-3 Data Slate window ................................................ 1-4, 8-1
3D Viewer window ............................................. 1-5, 10-1 Opening the Data Slate window.............................. 8-2
DC Offset
Canceling the DC offset .......................................... 2-5
Ａ Deconvolution ........................................................... 2-37
Delta Console window ................................................. 1-1
Accelerator function ..................................................... 1-9 Delta program
Adding and subtracting Exitng the Delta program ........................................ 1-2
Measurement data (FID) ......................................... 5-2 Starting the Delta program ...................................... 1-1
Adding and subtracting Directory .................................................................... 1-41
Processed data ......................................................... 5-5 Domain ........................................................................ 3-3
Annotation mode........................................................ 1-15
Array measurement data .............................................. 4-1
Processing all data as a single data file.................... 4-2 Ｅ
Processing arbitrary data
taken from the measurement data ....................... 4-8 Extended function ........................................................ 1-9

Ｂ Ｆ
Baseline correction..................................................... 2-15 Fast-Fourier transformation ....................................... 2-11
Automatic baseline correction ............................... 2-15 FFT ............................................................................ 2-11
Manual baseline correction ................................... 2-15 FID.................................................................... 1-40, 1-45
Other functions in the iBase Correct window........ 2-17 File Search window ................................................... 1-42
“Batch Process Files” window.................................... 6-1

Ｇ
Ｃ
Gain mode ................................................................. 1-11
Calculator panel ........................................................... 9-5 Geometry ..................................................................... 8-3
Combine Files window ................................................ 7-1 Global directory ......................................................... 1-41
Group number ............................................................ 1-40

NMECZ-USP-1 I-1
 Inporting data ........................................................ 1-51
Ｈ Saving NMR data .................................................. 1-46

High-resolution 1D NMR spectrum

Pasting .................................................................. 3-20
Ｏ
“Operate on Files” window......................................... 5-1
Ｉ
Integral baseline
Correcting the integral baseline ............................ 2-29
Ｐ
Integral mode............................................................. 1-14
Integration ........................................................ 2-26, 8-12 “Page Layout Editor” window .................................. 2-36
Automatic integration ........................................... 2-26 Pan mode.................................................................... 1-11
Integration template .............................................. 2-30 Peak
Manual integration ................................................ 2-26 Adding the clicked position to a peak ................... 2-23
To display the results .............................................. 9-2 Canceling selection of the peaks
Integration curve in the specified range ........................................ 2-24
Adding the integration curve ................................ 2-26 Deleting the selected peak ..................................... 2-24
Changing the display position Detecting a peak by clicking
of the integration curve .................................... 2-29 in the vicinity of the peak ................................. 2-23
Changing the size of an integration curve ............. 2-28 Displaying the J value between peaks ................... 2-25
Deleting all integration curves .............................. 2-28 Selecting all peaks ................................................. 2-24
Deleting an integration curve................................ 2-28 Selecting all peaks in the range you specify .......... 2-23
Selecting the current integration curve ................. 2-27 Selecting multiple peaks in the separated position 2-24
Splitting an integration curve................................ 2-30 Specifying a peak by clicking a peak marker ........ 2-23
Integration normal value Peak detection ............................................................ 2-20
Setting the integration normal value ..................... 2-27 Automatic peak detection ...................................... 2-20
Manual peak detection........................................... 2-23
Peak list
Ｋ Position to display the peak list ............................. 2-25
Peak mode .................................................................. 1-13
Peak pick ........................................................... 3-24, 8-12
Key-command ...................................................... 1-7, 1-9
To display the results............................................... 9-2
Peak-marker
Displaying the peak-marker labels
Ｌ in a different unit .............................................. 2-25
Phase 2D window....................................................... 3-29
Level Tool window.................................. 3-13, 3-16, 3-25 Phase correction ................................................ 2-12, 3-26
Automatic phase correction ................................... 2-12
Manual phase correction ....................................... 2-12
Ｍ Phase 2D window .................................................. 3-29
Phasing Tools panel .......................................2-1, 2-12
Phase mode ................................................................ 1-12
Macro button ........................................................ 2-1, 2-3
Phase sensitive 2D data
Assigning different function to the macro button ... 2-3
Data processing ..................................................... 3-26
Setting the macro button to the default function ..... 2-4
Pick mode................................................................... 1-16
Measure mode ........................................................... 1-14
PiP ..................................................................... 2-33, 3-34
Measurement data (FID)
PiP mode ..................................................................... 1-16
Adding and subtracting ........................................... 5-2
Plotting ...................................................... 2-36, 3-34, 9-4
Batch processing ..................................................... 6-2
Using a monochrome laser printer......................... 3-34
Loading a data file to the specified window ......... 1-41
Pointer bar .................................................................... 1-7
Saving measurement data ..................................... 1-46
Pop-up menu
Searching for data ................................................. 1-42
1D data screen ....................................................... 12-1
Modifier function.................................................. 1-7, 1-9
2D data screen ....................................................... 12-8
Molecule mode .......................................................... 1-15
Level Tool window ............................................. 12-16
Process
Deleting all the processes ...................................... 1-33
Ｎ Process control button ................................................ 1-28
Process level................................................................. 3-4
nD Processor window ........................................... 1-4, 3-1 Process list ................................................ 1-25, 1-27, 3-3
NMR data Checking if the program has finished executing
Conversion............................................................ 1-50 the process list .................................................. 1-37
Exporting data ...................................................... 1-52 Creating and editing a process list ......................... 1-29

I-2 NMECZ-USP-1
 Executing the process list ...................................... 1-37 Threshold mode ......................................................... 1-13
Loading the process list ......................................... 1-34 Tool bar ......................................................... 2-1, 2-2, 3-2
Saving the process list ........................................... 1-36 “Transfer Integral Tool” window ............................. 2-30
Standard process list .............................................. 1-26
Processed data
Adding and subtracting ........................................... 5-5 Ｕ
Displaying additional processed data ...................... 8-3
Loading a data file to the specified window .......... 1-41
Unit for axis ............................................................... 2-18
Saving processed data ........................................... 1-47
Searching for data ................................................. 1-42
Process-list control button ............................................ 3-1
Projection ................................................................... 3-17 Ｖ
Partial projection ................................................... 3-17
Projection mode .................................................... 3-17 Version number ......................................................... 1-40
View Control window................................................ 2-34

Ｒ
Ｗ
Reference mode ......................................................... 1-13
Reference setting ............................................... 2-18, 3-23 Window function .................................................. 2-7, 3-6
Region mode .............................................................. 1-16 Changing the parameters
for the window function .............................. 2-8, 3-7
Changing the window function ........................ 2-9, 3-8
Ｓ Checking the window function
using 1D slice data ........................................... 3-10
Setting a window function ............................... 2-7, 3-6
Select mode ................................................................ 1-12
Setting multiple window functions ................ 2-10, 3-9
Spectrum
Expanding a spectrum ........................................... 1-17
Expanding or reducing a spectrum ........................ 1-21
Moving a spectrum................................................ 1-19 Ｙ
Setting display range of spectrum ................ 2-34, 3-34
Spread sheet Y-axis gain
Spread sheet tool ................................................... 8-12 Changing the Y-axis gain...................................... 1-24
Spread Sheet window .............................................. 9-1
Statistic ........................................................................ 2-2
Symmetrization .......................................................... 3-12 Ｚ
Zero-filling ........................................................... 2-6, 3-5
Ｔ Zoom mode ................................................................ 1-11
Short cut key to the Zoom mode ........................... 1-17
T1 noise
Eliminating the T1 noise ....................................... 3-33

NMECZ-USP-1 I-3