XFIT - AN INTERACTIVE EXAFS ANALYSIS PROGRAM

Citation
Pj. Ellis et Hc. Freeman, XFIT - AN INTERACTIVE EXAFS ANALYSIS PROGRAM, Journal of synchrotron radiation, 2, 1995, pp. 190-195
Citations number
20
Categorie Soggetti
Instument & Instrumentation","Physics, Applied",Optics
ISSN journal
09090495
Volume
2
Year of publication
1995
Part
4
Pages
190 - 195
Database
ISI
SICI code
0909-0495(1995)2:<190:X-AIEA>2.0.ZU;2-8
Abstract
XFIT is an interactive and user-friendly program for the analysis of X -ray absorption fine structure (XAFS, EXAFS) curves. XFIT incorporates in a single package a number of features available in other existing programs: ab initio EXAFS calculation (using FEFF4.06/6.01), empirical EXAFS calculation (as in XFPAKG), allowance for polarization, use of Fourier filtering, and the application of constraints and restraints. Additional features not previously available are: simultaneous refinem ent with respect to several data sets, simultaneous refinement of seve ral absorber sites, and Monte-Carlo error analysis. Applications inclu ding the analysis of EXAFS data from mixtures and the analysis of DAFS (diffraction anomalous fine structure) data are indicated.