EXAFS analysis software (EXAFS123).

EXAFS123 (version 1.0) is a user friendly X-ray absorption spectroscopy data work-up and analysis package primarily for examining the extended X-ray absorption fine structure (EXAFS) of K-edge spectra. The package is a series of macros and procedures that runs within Igor Pro, and was written by Professor Robert Scarrow (Department of Chemistry; Haverford College). A number of phase and amplitude functions for Mn, Fe, and Co are included in the package, however, it is recommended that the user acquires the X-ray absorption package FEFF to create your own phase and amplitude functions using either F7and8runner (included) or feff to amp pha.

Most of the features of EXAFS123 have been tested under Igor Pro Carbon (for Mac) and Igor Pro versions 5 and 6 (both Mac and Windows). feff to amp pha does not currently work on versions of Igor Pro newer than Carbon. Because of modifications made to EXAFS123 since 2005 I cannot guarantee that it will on earlier versions of Igor. Also, it is currently only capable of importing data files from the NSLS (Brookhaven National Labs) or spectra that have already been corrected to the point where they would have a baseline fit to the data (e.g. do not need to be corrected for self-absorption etc.).

If you encounter problems, please feel free to write me (shearerATunr.edu). More detailed documentation will be available in the future. In addition, if you would like the capabilities of EXAFS123 expanded (i.e. to read different input files) please let me know (or feel free to modify the code to meet your needs!).

This software is available free of charge. No warrantee to this software is expressed of implied.

If you publish any results from this software I request that you:
1) Use the following references (or however you care to phrase this information):
a) "A dihydroxo-bridged Fe(II)-Fe(III) complex: A new member of the diiron diamond core family." Egdal, R. K.; Hazell, A.; Larsen, F. B.; McKenzie, C. J.; Scarrow, R. C. J. Am. Chem. Soc. 2003, 125, 32-33. b) Scarrow, R. C. EXAFS123. Haverford College. Haverfored, PA 19041. 2003. c) EXAFS123 can be obtained at: http://wolfweb.unr.edu/~shearer/XAS_software.html
2) E-mail me a citation of the publication that utilized EXAFS123.