Accession Number:

ADA244337

Title:

EPRFIT: An Electron Paramagnetic Resonance Modeling and Analysis Package Version 1.10

Descriptive Note:

Technical rept.,

Corporate Author:

FRANK J SEILER RESEARCH LAB UNITED STATES AIR FORCE ACADEMY CO

Personal Author(s):

Report Date:

1991-12-01

Pagination or Media Count:

39.0

Abstract:

EPRFIT is a computerized analysis and modeling package which simulates isotropic EPR spectra. The package performs first and second order spectral simulations of both single configuration species and exchange-broadened species containing up to 7 exchanging configurations. The program simulates spectra composed of up to 2200 individual lines and up to 14 distinct spin species with nuclear spins within the range 0-9.5. The various procedures within the program are accessed via a user friendly menu-based package. Data entry is conducted using a spreadsheet architecture which provides the user with easy access to data for inspection and editing. Simulation data, simulated spectra, and experimentalsimulated spectrum comparison files can be retrieved and stored onto hardfloppy disk storage in either ASCII or packed formats. ASCII output provides a useful means for linking the dataspectra to other analysis packages as well as for use in printingplotting routines. The simulated and comparison spectra can also be displayed and analyzed graphically within the program. Spectral analysis options include spectrum offsetting, panning, zooming, and peak position and intensity identification routines. These operations apply to both simulated and comparison spectra. Hardcopies of the simulation results and any combination of spectra can be printed onto Epson compatible dot matrix printers for future reference or presentation.

Subject Categories:

  • Computer Programming and Software
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE