Spectrum Research, LLC.

SpecMan/SpecManPlus

User’s Guide

A software tool for computer-aided analysis

of multi-dimensional spectral data

Table of Contents

Introduction. 5

1.1____________________________________ General 5

1.2_________________________ Application Limitations 6

1.3__________________________ System Requirements 6

1.4_________________________________ Help Facility 6

1.5_______________________________ SpecMan Files 6

1.6____________________ A Note on Operating Systems 7

Getting Started with SpecMan. 7

2.1_______________________ Installation of the Program_ 7

2.2____________________ Spectrum Research Licensing 7

2.3_____________________________ Starting SpecMan 7

2.4__________________________________ The Basics 8

2.5__________________________ The SpecMan Toolbar 8

SpecMan’s File Menu. 10

3.1_____________________________ Open a Spectrum_ 10

3.2__________________________ Open Multiple Spectra 10

3.3_______________________________ Open Molecule 13

3.4_______________________________ Save Molecule 13

3.5_______________________ Manage Custom Database 14

3.6___________________ Import NMR-SCAPE Database 16

3.7__________________________ Save Multiple Spectra 17

3.8______________________ Prepare NMR-SAMS Data 17

3.9_____________________________________ Export 18

3.10______________________________________ Print 18

3.11______________________________ Save Submatrix 19

3.12______________________________ Save Projection 19

3.13______________________________________ Quit 19

SpecMan’s Edit Menu. 20

4.1______________________________________ Undo 20

4.2_______________________________ Copy Spectrum_ 20

4.3_______________________________ Copy Molecule 21

4.4_____________________________ Copy Assignment 21

4.5_________________________________ Copy Peaks 21

4.6______________________________ Initialization File 22

4.7________________________________ Database File 23

4.8____________________________ NMR-SAMS Data 23

4.9__________________________________ Set Labels 23

4.10__________________________ Spectral Parameters 24

4.11_______________________________ Set Reference 25

4.12___________________________________ Molecule 27

SpecMan’s Display Menu. 29

5.1___________________________ Set Active Viewport 29

5.2______________________________ Swap Viewports 29

5.3___________________________________ Threshold 29

5.4___________________________ 2D Viewport Layout 30

5.5______________________________________ Units 30