Next:
License
Up:
refman
Previous:
refman
Contents
License
1 Introduction
Acknowledgements
2 The Basics of IFEFFIT
2.1 Starting the program
2.2 A Sample Run
2.3 The show() and print() Commands
3 Structure and Syntax of IFEFFIT
3.1 Commands
3.2 Scalars, Arrays, and Strings
3.3 Dynamic Variables: set(), def(), and sync()
3.4 Fitting Variables: guess()
3.5 Mathematical Syntax and Operations
3.6 Commands, Arguments, and Keyword/Values
3.7 Getting information back from IFEFFIT
3.8 Log Files, echo(), show(), and print()
4 Input and Output Files
4.1 Reading ASCII Column Files
4.2 Sorting Data with read_data()
4.3 Writing ASCII Column Files
4.4 The PAD Format for Save and Restore Files
5 Plotting with IFEFFIT
5.1 Specifying Data for Plotting
5.2 Error Bars
5.3 Colors, Line Styles, and Other Attributes
5.4 Text Strings and Labels
5.5 Markers and Arrows
5.6 Cursor and Zooming
5.7 Graphics Devices
6 Basic XAFS Data Processing
6.1 Data Manipulation and Corrections
6.2 De-glitching
6.3 Pre-Edge Subtraction, Finding E
0
, and Normalization
6.4 Simple XANES spectral analysis
6.5 Post-Edge Background Subtraction: isolating (k)
6.6 XAFS Fourier Transforms
7 Fitting XAFS Data with FEFF Calculations
7.1 Defining and Using Paths
7.2 Creating (k) data with ff2chi()
7.3 Building a Fitting Model
7.4 Executing a Fit
7.5 Estimating the uncertainties in fitted variables
7.6 Goodness of Fit Parameters
7.7 Post-Fitting Tasks
7.8 Additional Fitting Features of feffit()
8 Fitting Non-XAFS Data with IFEFFIT
9 Commands
9.1 bkg_cl()
9.2 chi_noise()
9.3 color()
9.4 comment()
9.5 correl()
9.6 cursor()
9.7 def()
9.8 echo()
9.9 erase()
9.10 exit()
9.11 feffit()
9.12 ff2chi()
9.13 fftf()
9.14 fftr()
9.15 f1f2()
9.16 get_path()
9.17 guess()
9.18 history()
9.19 linestyle()
9.20 load()
9.21 log()
9.22 macro()
9.23 minimize()
9.24 newplot()
9.25 path()
9.26 pause()
9.27 plot()
9.28 plot_arrow()
9.29 plot_marker()
9.30 plot_text()
9.31 pre_edge()
9.32 print()
9.33 quit()
9.34 random()
9.35 read_data()
9.36 rename()
9.37 reset()
9.38 restore()
9.39 save()
9.40 set()
9.41 show()
9.42 spline()
9.43 sync()
9.44 unguess()
9.45 window()
9.46 write_data()
9.47 zoom()
10 Macros in IFEFFIT
11 Scripting and Programming with IFEFFIT
11.1 Which language to use?
11.2 Controlling screen outputs: The echo buffer
11.3 The Fortran interface to IFEFFIT
11.4 The C interface to IFEFFIT
11.5 The IFEFFIT Perl Module
11.6 Using IFEFFIT from Python
11.7 Using IFEFFIT from Tcl
A. Glossary of Program Variables
A..1 Scalar Naming Conventions
A..2 Array Naming Conventions
B. Fourier Transforms in IFEFFIT
B..1 Fourier transform Conventions
B..2 Fourier transform window functions
Bibliography
Index
About this document ...
Matt Newville
2004-02-09