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 XAFS software catalog
The aim of this catalog is to summarise information about the currently available software for XAFS. The list is not complete, and we encourage you to send us information to update this list.
Free Soft Index 
Commercial Soft Index 
Licensed Soft Index 
software (click on link to download)  hardware  author  authors notes 

XANES dactyloscope(a program for quick and rigorous XANES analysis for Windows) 
Windows  K.V.Klementev 
The program is designed for analysis of XANESdata ('fingerprints') with maximum visual control and includes various steps:

CDXAS(Classic and Dispersive Xray Absorption Sopectroscopy) 
PC (DOS)  Alfonso San Miguel 
CDXAS holds for Classic and Dispersive Xray Absorption Spectroscopy. The package includes full EXAFS analysis. The fitting routine is a separate module also included.

CHOOCHA program for calculating Anomalous Scattering Factors from Xray fluorescence data

Irix, Alpha and Linux 
Gwyndaf Evans RC Laboratory of Molecular Biology Hills Road, Cambridge, CB2 2QH, UK. 
The program uses experimentally determined heavy atom fluorescence spectra from protein crystal samples to calculate the real (f') and imaginary (f'') parts of the anomalous scattering correction term. G. Evans and R. F. Pettifer (2001) J. Appl. Cryst. 34, 8286.

DaresburyExcalib, Exback, Exbrookprograms 
Unix(SunOS,Solaris,IRIX and AIX) 
CCLRC Daresbury Laboratory 
Executable versions of EXCALIB and EXBACK are available for the following platforms:
There is no charge for academic institutions. You will be required to sign a declaration that the programs will not be redistributed. If you wish to obtain a copy of EXCALIB and EXBACK please send email to: More information can be found from this link 
EDA(EXAFS Data Analysis SoftwarePackage) 
PC (DOS) 
To get the latest version of the code with a documentation, contact the author. Alexei Kuzmin, Institute of Solid State Physics, 8 Kengaraga str.,LV1063 Riga, Latvia 
The EXAFS Data Analysis softwarepackage, called "EDA", allows to carry out all steps of the xray absorption spectra analysis. It consists of a set of interactive programs written for IBM PC compatible computers running MSDOS compatible operational system. The "EDA" package is especially suitable for the analysis of the first coordination shell EXAFS signal using

FitItFitIt is a free software to fit spectra using multidimensional interpolation approximation 
PC/WINDOWS  Grigory Smolentsev, Alexander V. Soldatov 
FitIt is a free software to fit spectra using multidimensional interpolation approximation. The main field of applications is quantitative determination of the local atomic structure parameters on the basis of fitting of Xray absorption near edge structure (XANES). The algorithm of multidimensional interpolation of the spectrum as a function of structural parameters allows to minimize the number of timeconsuming calculations required to find optimal values of the parameters. 
MAX

MACOSX, Windows, LINUX 
Alain Michalowicz Institut de Chimie et des Materiaux Paris Est CNRS and University Paris 12 France Karine Provost 
Multiplatform Applications for Xray absorption. ncluding : ABSORBIX, CHEROKEE, ROUNDMIDNIGHT, CRYSTALFF and (new !) CRYSTALFFREV 
EXAFSPAK 
VAX, AlphaVAX, Unix (soon)  G. N. George (SSRL) 
EXAFSPAK is a suite of XAS data analysis programs developed by Dr. G.N. George of SSRL. Features include a degree of automation, an efficient curvefitting algorithm using analytically calculated derivatives (allowing more rapid convergence to the bestfit than with numerically calculated ones). Other features include the ability to link different variables together in the curvefitting process, and the availability of search routines and bestinteger fitting functionality. The curvefitter can utilize the ab initio multiple scattering code FEFF More information is available from here 
GNXAS 
VAX, UNIX 
Various authors Email them 
The GNXAS package is and advanced software for EXAFS data analysis based on multiplescattering (MS) calculations and a rigorous fitting procedure of the raw experimental data. The main characteristic of the software are:
Its flexibility and advanced characteristics are essential to perform a modern EXAFS dataanalysis and to extract accurately all the valuable information contained in your data. More information is available from here. 
LASE 
any unix computer with XWindow (tested on alpha/digital unix; Solaris; HPUnix; linux (C source ready to compile)), Windows and Mac.  Emmanuel Curis 
LASE includes all the most common functions of EXAFS analysis and offers a userfriendly graphical interface for them. It is mainly designed to handle the statistical errors propagation across all treatment, including Fourier filtering. Statistical errors are determined point by point, when averaging spectra, but the user can replace them by other pointbypoint estimation if necessary.
Find more information here. 
MURATA'S PROGRAMS 
Fotran source and DOS executables  Takatoshi Murata  
NPI 
UNIX,Fortran and C sources  M. Sanchez del Rio 
The package contains two programs. The first one CNPICK (in C), calculates the EXAFS signal from the experimental absorption spectrum. The second one, NPI (in Fortran), makes a direct comparison between the experimental EXAFS spectrum and a model signal. Reference: M. Sánchez del Río and J. Chaboy. "NPI, A code for EXAFS data analysis". Computers and Chemistry (1995) 19(1) 5961. 
SEDEMSoftware package for Exafs Data Extraction and Modeling 
PC (DOS). requires 2 Mo of XMS 
To get the latest version, contact the author. Laboratoire de Cristallographie, CNRS, 25 Avenue des Martyrs, BP 166, F38042 Grenoble cedex 9 France 
The SEDEM package is divided in four items:

TTMULTIPLETS 
HPUNIX, SGIUNIX, SUNUNIX (source code available). 
The late Theo Thole
To get the latest version, contact 
TMULTIPLETS is a set of computer programs designed to calculate radiative transitions between two configurations, for example a dipolar transition simulating a 2p>3d xray absorption process. It is capable of simulating all core level spectroscopies. The programs have all been written or modified by the late Theo Thole. They are maintained and distributed by Frank de Groot at Solid State Physics Laboratory (Univ. of Groningen, Netherlands). 
VIPER(Visual Processing in EXAFS Researches) 
Windows  K.V.Klementev 
All fit parameters can be fixed and constrained or related to the homogeneous parameters of the other spheres (wells) by arbitrary functions. Fitting is done either in k or in rspace. Scattering amplitudes and phases must be calculated by other programs (FEFF format is recognized). The parameters and results of fitting can be saved in (and then a model can be loaded from) a database. Advanced error analysis is developed and applied. Statistical chi^2 and F tests can be performed at user request. Any time, all curves and their changes under processing are visual. Several parameters can be quickly changed by mouse dragging. Data file structure is tunable and flexible, no previous conversion needed to load multiple column files from different EXAFS stations. 
XAFSA DATA ANALYSIS PROGRAM FOR MATERIALS SCIENCE 
68000 series Apple Macintosh  Markus Winterer 
XAFS provides input options for data in HASYLAB, feff, and general column oriented formats. XAFS features seven line shape functions for XANES fit: arctangian, error function, and linear linear combinations therof, Fano (step functions), Lorentzian, Gaussian, and pseudoVoigt (peak functions). EXAFS fit options are standard (with fit parameters N, R, s^2 and E0), general (N, R, s^2, E0, c3, c4, and h, x, n, parameters for electron mean free path, analytical distribution (N, R, s^2 , E0, and asymmetry parameter h) numerical distribution (s^2 , E0, 25 bins), and cumulant expansion (up to c4). Distribution reconstruction is performed by inverse sine fourier transform of chi data. The maximum number of shells / path fitted is seven. Multiple scattering is available through the interface to feff. The analytical distribution fits use weighted exponential functions (m=0,1,and 2). Currently, xafs runs on 68000 series Apple Macintosh computers with math coprocessors (fpu) and will soon be available in Power Macintosh and unix versions. 
XAID 
Unix(HP, Sun, SGI, Linux, Alpha) and PCs (Windows95/98/NT)  M. Sanchez del Rio  Code written in IDL. Distributed in embedded form as an "extension" of the XOP package. Includes a module for Dispersive Exafs caLIbration and Analysis (DELIA). 
XANES dactyloscope(a program for quick and rigorous XANES analysis for Windows) 
Windows  K.V.Klementev 
The program is designed for analysis of XANESdata ('fingerprints') with maximum visual control and includes various steps:

software (click on link to download)  hardware  author  authors notes 

Cerius2 EXAFSfeaturing Excurv92 Download is from CD ROM 
Unix 
At MSI  Phil Hastings

Excurv92 is distributed by Molecular Simulations as part of their Cerius2 EXAFS module, which provides an easytouse graphical user interface, fully integrated within the Cerius2 modelling environment. Further information about Cerius2 and the EXAFS module (including list of features) may be obtained directly from MSI's website: 
EXCURV98latest releases of the EXCURVE program for comparing experimental and theoretical EXAFS data 
Unix  Paul Stephenson 
EXCURV98 is the most recent version of EXCURVE, Daresbury's curved wave theory EXAFS analysis program. It is a substantial update on EXCURV92, with both theory and setup improvements. This program simulates EXAFS spectra using rapid curved wave theory and Rehr Albers theory from the parameters of the radial shells of atoms surrounding the central atom. For ordering information, contact Norman Binsted). 
XDAP 
PC and Mac  XSI 
XDAP is an easy to use program for complete analysis of Xray Absorption Spectra. All steps of dataanalysis can be carried out in k or rspace. XDAP has extensive plotting capabilities and incorporates and editor for the parameters that describe the model EXAFS. Up to nine scattering paths can be included in the model. Higher order cumulants can be calculated for disordered systems. XDAP is available for PC's and computers running the MacOS. 
software (click on link to download)  hardware  author  authors notes 

FEFF Project 
PC(Windows), PC(Dos), Macintosh,UNIX,VAX 
Members of the FEFF project 
FEFF is an automated program for the calculation of phase shifts and effective scattering amplitudes of polarization dpendent single and multiple scattering Xray Absorption Fine Structure (XAFS) and Xray absorption NearEdge Structure (XANES) spectra for clusters of atoms. The most recent version of FEFF is numbered 8. The programs available from The FEFF Project are:
Find more information here. 
UWXAFS 
Fortran sources  University of Washington  
WINXAS 
PC (Windows) 
Thorsten Ressler, Institut of Physical Chemistry, University of Hamburg, Bundesstr. 45, D20146 Hamburg, Germany, or second email 

XFITa suite of XAFS analysis programs for PCs 
PCs/Win95  To obtain send an email here 
XFIT for Windows is a suite of Xray Absorption Fine Structure (XAFS) analysis programs for PCs using the Windows 95 operating system. The Windows version of XFIT was developed at the University of Sydney as a joint project with, and funded by, the Australian Synchrotron Research Program Inc. It incorporates the following features:
