EPRFIT: An Electron Paramagnetic Resonance Modeling and Analysis Package Version 1.10
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 experimental/simulated spectrum comparison files can be retrieved and stored onto hard/floppy disk storage in either ASCII or packed formats. ASCII output provides a useful means for linking the data/spectra to other analysis packages as well as for use in printing/plotting 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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 01, 1991
- Accession Number
- ADA244337
Entities
People
- Joseph A. Menapace
Organizations
- Air Force Research Laboratory