research papers
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 refinement with respect to several data sets, simultaneous refinement of several absorber sites, and Monte-Carlo error analysis. Applications including the analysis of EXAFS data from mixtures and the analysis of DAFS (diffraction anomalous fine structure) data are indicated.