IFEFFIT is a command-line program for XAFS Analysis. It includes high-quality algorithms specific to XAFS Analysis: For background removal, it uses the AUTOBK algorithm, and for fitting EXAFS chi(k) and FEFFIT with graphical display of XAFS data and general data manipulation.
IFEFFIT can also be used within other programs or scripts, so that a variety of small programs and general-purpose user interfaces (both graphical and non-graphical) can be written around it. Several such tools are now included in the IFEFFIT distribution.
IFEFFIT includes the following features:
- Read/Write ASCII data files.
- Simple manipulation of one-dimensional array data
- Interactive plotting of data (outputs to Postscript or GIF)
- XAFS pre-edge removal, E0 determination, normalization
- XAFS background removal (AUTOBK algorithm).
- XAFS Fourier Transform (including Hanning, Kaiser-Bessel, and Sine Window Functions)
- Simple front end for combining FEFF paths -- enhanced FF2CHI.
- FEFFIT analysis: fitting data to FEFF calculations with generalized fitting parameters, automatic error-bar estimation, fitting in either R or k-space.
- Simultaneous refinement of multiple data sets.
- Both constraints and restraints can be applied to the fit.
- Generalized minimization routine for fitting non-XAFS data, including XANES fitting to combinations of model spectra or pre-defined functions.
- Anomalous scattering factors from Cromer-Libermann calculations.
IFEFFIT works on Unix, Windows, and MacOS X systems.
IFEFFIT is Free Software