miXAFS: a program for X-ray absorption fine-structure data analysis

J Synchrotron Radiat. 2018 Mar 1;25(Pt 2):618-624. doi: 10.1107/S1600577518001765. Epub 2018 Feb 20.

Abstract

A new program called miXAFS for the analysis of X-ray absorption fine-structure (XAFS) data is presented. miXAFS can analyze the XAFS functions simultaneously for all measured X-ray absorption edges of the constituent elements in a sample under the constraints for the structural parameters over the edges. The program provides a surface plot of the R-factor as a function of two structural parameters, which is useful to validate the optimized structural parameters. The structural parameters can be obtained from the XAFS data in a few steps using the setting file and batch process. The program, which is coded in MATLAB and freely available, runs on Macintosh and Windows operating systems. It has a graphical user interface and loads experimental data and XAFS functions in a variety of ASCII data formats.

Keywords: XAFS; analysis program; multi-edge fitting.