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 E₀, 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 ...