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

被引:3
作者
Ikemoto, H. [1 ]
机构
[1] Univ Toyama, Dept Phys, Toyama 9308555, Japan
基金
日本学术振兴会;
关键词
XAFS; analysis program; multi-edge fitting; SHORT-RANGE STRUCTURE; SPECTROSCOPY; LIQUID; EXAFS;
D O I
10.1107/S1600577518001765
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
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.
引用
收藏
页码:618 / 624
页数:7
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