UWXAFS 3.0

The following programs comprise the UWXAFS analysis package:

FEFFIT

Fit Chi(k) data to the theoretical calculations of FEFF, and assess the errors in the fitting parameters. The fitting is done in R-space, which allows spatial selection of the interesting and accessible contributions to the XAFS. The program allows the user to modify the FEFF calculations in a variety of ways so that the user can model many different types of systems.

ATOMS

Interpret space group configuration and write an input file for FEFF. Several experimental absorption corrections to XAFS data are also calculated.

AUTOBK

Evaluate and remove the background of raw absorption data, converting absorption, mu(E), to XAFS, Chi(k). The algorithm chooses the background that minimizes the low-R components of Chi(R), the Fourier Transform of Chi(k).

COPYDF

Copy some of the contents of one UWXAFS binary file to another.

LISTDF

List the contents of a UWXAFS binary file.

RATIO

Take the log-ratio of isolated Chi(k) data, and evaluate the cumulants of the distribution function.

REFORM

Convert data back and forth between UWEXAFS binary and ASCII column format.

Here is a listing of the contants of the UWXAFS 3.0 package:

Source Codes

1. feffit.f
2. atoms.f
3. autobk.f
4. copydf.f
5. listdf.f
6. ratio.f
7. reform.f

Documents

The files listed here can be found on the Documents page.

1. Documentation for Feffit in PostScript or plain text formats
2. Documentation for Atoms in PostScript, hypertext, or plain text formats
3. Documentation for Autobk in PostScript or plain text formats
4. Description of UWXAFS data files and documentation for Listdf, Copydf, and Reform in PostScript or hypertext format.
5. Documentation for Ratio in plain text format
6. PostScript or hypertext version of a paper by Ed Stern from the procedings ofthe XAFS VIII conference describing the UWXAFS package.

Tools

These are various utilities and example files that we include with the package. The items listed here, and several other goodies, can be found on the Tools page.

1. a complete example of the use of the UWXAFS package. See Appendix A of the Autobk document and Appendix A of the Feffit document for details.
2. several example atoms.inp files
3. McBook - a compilation of the McMaster data
4. feffit.el - an Emacs major mode for editing UWXAFS input files
5. fd2fi - a utility for converting files.dat to feffit.inp

DOS Executables

Because many PC users do not have access to a reliable Fortran compiler, we have executable version of the programs listed above available for MS-DOS and Macintosh.

Restrictions, License, and Copyright Information

Government Copyrights

This work was supported in part by DOE Grant DE-FG06-90ER45425 and by
the Royalty Research Fund of the University of Washington. In
accordance with the DOE FAR rules part 600.33 "Rights in Technical
Data - Modified Short Form" the following clause applies to the
UWXAFS programs: 

(c)(1)The grantee agrees to and does hereby grant to the U.S. 
Government and to others acting on its behalf: 

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(c)(2) The grantee agrees that it will not knowingly include any
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material furnished or delivered under this grant without a license 
as provided for in paragraph (c)(1)(ii) of this section, or without 
the consent of the copyright owner, unless it obtains specific 
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