Spectrum Research, LLC.

SpecMan/SpecManPlus

User’s Guide

A software tool for computer-aided analysis

of multi-dimensional spectral data

Table of Contents

Introduction. 6

1.1 General 6

1.2 Application Limitations 8

1.3 System Requirements 8

1.4 Help Facility 9

1.5 SpecMan Files 9

1.6 A Note on Operating Systems 9

Getting Started with SpecMan. 10

2.1 Installation of the Program_ 10

2.2 Spectrum Research Licensing 10

2.3 Starting SpecMan 10

2.4 The Basics 11

2.5 The SpecMan Toolbar 12

SpecMan’s File Menu. 14

3.1 Open a Spectrum_ 14

3.2 Open Multiple Spectra 15

3.3 Open Molecule 18

3.4 Save Molecule 20

3.5 Manage Custom Database 20

3.6 Import NMR-SCAPE Database 23

3.7 Save Multiple Spectra 24

3.8 Prepare NMR-SAMS Data 25

3.9 Export 27

3.10 Print 27

3.11 Save Submatrix 28

3.12 Save Projection 29

3.13 Quit 29

SpecMan’s Edit Menu. 30

4.1 Undo 30

4.2 Copy Spectrum_ 30

4.3 Copy Molecule 32

4.4 Copy Assignment 32

4.5 Copy Peaks 33

4.6 Initialization File 34

4.7 Database File 35

4.8 NMR-SAMS Data 36

4.9 Set Labels 37

4.10 Spectral Parameters 37

4.11 Set Reference 39

4.12 Molecule 42

SpecMan’s Display Menu. 45

5.1 Set Active Viewport 45

5.2 Swap Viewports 45

5.3 Threshold 45

5.4 2D Viewport Layout 46

5.5 Units 47

5.6 Tie Views 47

5.7 Overlay 49

5.8 Associate Reference Spectra 51