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Phit
Bruce Ravel,
ravel@u.washington.edu
version 0.13, 14 December, 1995
Fit an arbitrary lineshape to real data.
1.
Introduction
2.
Input and Output Files
2.1 Input Files
2.2 Running Phit, Output Messages, Warnings, and Errors
2.3 Output Files
3.
Keywords
3.1 A Brief List of the Keywords
3.2 Full Explanation of Keywords
4.
Available functions
4.1 List of Functions
4.2 Rules for Using Functions
4.3 The Peak Function.
5.
Writing Sensible Input Files
5.1 Specifying Keywords
5.2 Guess and Set Values
5.3 Writing Math Expressions
5.4 Choosing Variable Labels
5.5 Functions Other Than Those Found in Phit
5.6 Using Phit without Fitting
6.
Goodness of Fit and Uncertainty in Variables
7.
Acknowledgments, References, and Program Notes
7.1 Acknowledgments
7.2 Bibliography
7.3 Copyright Issues
7.4 Obtaining New Copies of FEFF or of the UWXAFS Analysis Programs
7.5 To Do
7.6 Source Code Parameters
7.7 Code Portability and Code Compilation
7.8 Adding More Data Formats to Phit
7.9 About this document.
8.
Appendix: Some Worked Examples
8.1 Fitting a Line + a Gaussian + Noise
8.2 Fitting An Einstein Temperature to XAFS Debye-Waller Factors
8.3 Fitting the Near Edge Structure of Barium Titanate
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