期刊
JOURNAL OF SYNCHROTRON RADIATION
卷 25, 期 -, 页码 618-624出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600577518001765
关键词
XAFS; analysis program; multi-edge fitting
资金
- Japan Society for the Promotion of Science [23510120, 26400312, 17K04980]
- Grants-in-Aid for Scientific Research [26400312, 23510120, 17K04980] Funding Source: KAKEN
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.
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