MestReNova 6.0.2 Manual

MestReNova Manual
© 2009 MESTRELAB RESEARCH

Last Revision: 29-Oct-2009

MestreNova 6.0.2
by MESTRELAB RESEARCH

This is the manual of MestreNova 6.0.2

MestreNova Manual
© 2009 MESTRELAB RESEARCH
All rights reserved. No parts of this work may be reproduced in any form or by any means - graphic, electronic, or
mechanical, including photocopying, recording, taping, or information storage and retrieval systems - without the
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Products that are referred to in this document may be either trademarks and/or registered trademarks of the
respective owners. The publisher and the author make no claim to these trademarks.
While every precaution has been taken in the preparation of this document, the publisher and the author assume no
responsibility for errors or omissions, or for damages resulting from the use of information contained in this document
or from the use of programs and source code that may accompany it. In no event shall the publisher and the author be
liable for any loss of profit or any other commercial damage caused or alleged to have been caused directly or
indirectly by this document.

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MestreNova Manual

Table of Contents
Foreword

0

9

Part I Introduction

1 System Requirements
................................................................................................................................... 9
Windows System Requirements
.......................................................................................................................................................... 9
Mac OS X System Requirements
.......................................................................................................................................................... 10
Linux System.......................................................................................................................................................... 10
Requirements

Part II Mnova 6.0

12

Part III Installation Guide

15

Part IV Shortcuts

22

Part V Fast Visual Guide to process routine 1D-NMR
experimental data

26

Part VI Fast Visual Guide to process routine 2D-NMR
experimental data

35

Part VII The Mnova interface

40

1 Multipage Software
................................................................................................................................... 41
2 Working on ................................................................................................................................... 44
a Single Page
3 Mnova Menus & Toolbars
................................................................................................................................... 46
4 Intelligent NMR Clipboard
................................................................................................................................... 66
5 Properties ................................................................................................................................... 69
6 Preferences................................................................................................................................... 82
7 Contextual Menus
................................................................................................................................... 86
8 Toolbars Customization
................................................................................................................................... 93
9 Localization................................................................................................................................... 99
10 Layout Templates
................................................................................................................................... 101
11 How to measure coupling constants? The Crosshair Tool
................................................................................................................................... 107
12 Zooming ................................................................................................................................... 109
Full View ..........................................................................................................................................................
Create Expansions
..........................................................................................................................................................

114
116

13 Cutting Spectra
................................................................................................................................... 117
14 Increasing ................................................................................................................................... 119
and Decreasing Intensity
15 Undo & Redo
................................................................................................................................... 119
16 Graphics and Annotations
................................................................................................................................... 120

© 2009 MESTRELAB RESEARCH

Contents

Part VIII Processing Basics

5

123

1 1D NMR Processing Tour
................................................................................................................................... 123
2 2D NMR Processing Tour
................................................................................................................................... 128
3 Stacked NMR Processing
................................................................................................................................... 136
4 Fourier Transform
................................................................................................................................... 146
FID Shift
..........................................................................................................................................................
Diagonal Suppresion
..........................................................................................................................................................
Signal Suppresion
..........................................................................................................................................................
Apodization ..........................................................................................................................................................
Truncation ..........................................................................................................................................................
Zero Filling and Linear Prediction
..........................................................................................................................................................
Drift Correction
..........................................................................................................................................................
The FT Command
..........................................................................................................................................................

149
150
150
151
161
161
164
165

5 Phase Correction with Mnova
................................................................................................................................... 166
6 Baseline Correction with Mnova
................................................................................................................................... 173
7 Symmetrization
................................................................................................................................... 181
8 Tilt 45

................................................................................................................................... 182

9 Reducing t1 Noise
................................................................................................................................... 183
10 Covariance NMR
................................................................................................................................... 183
11 Normalization
................................................................................................................................... 193
12 Binning

................................................................................................................................... 194

13 Align

................................................................................................................................... 195

14 Compression
................................................................................................................................... 196
15 Smoothing................................................................................................................................... 196
16 Resolution................................................................................................................................... 200
Booster
17 Inverting, Transposing and Reversing Spectra
................................................................................................................................... 203
18 Arithmetic ................................................................................................................................... 203
19 Automated................................................................................................................................... 210
Processing

Part IX Analysis Tools

214

1 Chemical Shift Referencing
................................................................................................................................... 214
2 Peak Picking
................................................................................................................................... 218
Peak Picking Properties
..........................................................................................................................................................

234

3 Integration................................................................................................................................... 235
Integral Properties
..........................................................................................................................................................

250

4 Multiplets analysis
................................................................................................................................... 252
Multiplets Properties
..........................................................................................................................................................

278

5 GSD (Global Spectral Deconvolution)
................................................................................................................................... 281
6 Line Fitting (Deconvolution)
................................................................................................................................... 292
Line Fitting Properties
..........................................................................................................................................................

302

7 J-Correlator
................................................................................................................................... 303
8 Bayesian DOSY Transform
................................................................................................................................... 305
© 2009 MESTRELAB RESEARCH

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