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JB95 Spectral fitting program

Description/Summary:

A graphical user interface program, JB95, based on a Windows 95© API platform has been written in the C programming language to aid in the analysis of complex molecular spectra. Dialogs 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 of a molecule and for the analysis of molecular spectra when internal rotation, centrifugal distortion, nuclear quadrupole coupling interactions, large-amplitude motions and inertial-frame reorientation effects are resolved.

Download v2.07.08 here: JB95.zip (1.4 MB)

Dialogs for the following programs are provided from within JB95 program (user guide documents are given to the right)

IAR95.exe – Asymmetric rotor program that includes 1st order Watson centrifugal distortion terms (A or S-reduction), internal rotation terms (principal axis or ρ-axis frames) in 1st, 3rd and 5th order and inertial axis reorientation terms in 3 dimensions.
GA95.exe - Automated fitting program for rotationally resolved data using Genetic Algorithms
QUAD95.exe – Nuclear quadrupole coupling program for calculation of energy splitting to 2nd order

Details

Version: v2.07.08

Last Updated: Sept. 9, 2009

Type of software: Windows 95, 98, 2000, XP executable

System/Platform:

Windows95 or higher

Contact

Quantum Electronics and Photonics Division
Robert Hickernell, Chief

Molecular and BioPhotonics Project
Kimberly Briggman, Leader

JB95 Spectral fitting program:
David Plusquellic
303-497-6089 Telephone

General Information:
325 Broadway MS815.01
Boulder, CO 80305
303-497-7287 Telephone