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User Guide to the Jb95 Spectral Fitting Program Zipped Program: Version 2.00.3 (1.06MB) Abstract A graphical user interface computer program based on a Windows1 API platform has been written in the C programming language to aid in the rotational analysis of complex molecular spectra. Dialog boxes provide a user interface for the calibration, linearization and manipulation of experimental data and for the generation and optimization of the simulated spectra. Resources are provided for the deconvolution of multiple overlapping rotational bands from different conformations and/or isotopomers of a molecule and for the analysis of molecular spectra when internal rotation, centrifugal distortion, nuclear quadrupole coupling interactions, large amplitude motion and inertial frame reorientation effects are resolved. Table of Contents A. Overview B. Displaying Experimental Data C. Calculating and Using Simulated Spectra D. Generating Simulated Data when No Experimental Data Exists E. Importing Experimental ASCII Data F. Importing Simulated Line Sets Generated Using Other Programs G. Calibration, Normalization, and Linearization Procedures Appendix A: MAIN WINDOW hot key options from keyboard For technical information or questions, contact: David F. Plusquellic Phone: (301)-975-3896 Fax: (301)-975-2950 Email: david.plusquellic@nist.gov OTD Home Page   |   Site Comments Online: April 2001   -   Updated: May 2003