EXAFS Data Analysis Software Package

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SYSTEM REQUIREMENTS:

• AMD/Intel compatible PC computer
• 16 Megabyte (MB) of RAM (Random Access Memory)
• VGA or SuperVGA graphic card and color monitor
• minimum 10 MB of free space on Hard Disk

• IBM PC Disk Operating System (DOS) or Microsoft DOS, Version 3.00 or later
• The EDA package can be also run under the DOS emulator: DOSBox.

N.B. The EDA package can be used as DOS application under MS Windows 3.1/9x/Me/NT/2000/XP.
(For Windows NT and 2000, the Service Pack 4 must be installed !)

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The EXAFS Data Analysis software package, called EDA, contains a set of interactive programs written for IBM compatible personal computers. It has been successfully used during few last years in the analysis of x-ray absorption spectra (XAS) of different materials and allows to carry out all steps of the EXAFS data analysis procedure. Generally, the EDA package is oriented to carry out (1) preliminary analysis of the experimental XAS as extraction of the EXAFS and XANES parts from a spectrum and Fourier analysis of the EXAFS signal and (2) deep analysis of the first (and possibly outer) coordination shell when it is not influenced by the multiple-scattering contributions (MS). The latter can be done within several approaches as the multi-shell best-fit procedure (the parametrized model), the model-independent radial distribution function (RDF) method (the general model) and the amplitudes ratio/phases difference technique whose extension to the splice approach can be also used within the package however it is not supported till now by specially written code.

There are three main differences from known packages:

• significantly improved algorithm is used for atomic-like background removal in the EXAFS extraction procedure.

• a non-linear least-squares fitting program for EXAFS, based on a high speed algorithm without matrix inversion (instead of usual Marquardt method), was developed and allows simultaneous analysis up to 20 shells with 8 fitting parameters (S₀² (scale factor), N (coordination number), R (interatomic distance), sigma (mean square relative displacement (MSRD)), Delta E₀ (correction for the origin of photoelectron kinetic energy), C₃, C₄, C₅ and C₆ (cumulants of a distribution)) in each. The range of values of any fitting parameter can be limited by boundaries or fixed to a constant value. The covariance and correlation matrices can be also calculated.

• a possibility for the model independent derivation of the radial distribution function from a single shell EXAFS signal using general model is available.

More detailed information can be found here.

Here you can get the User's Manual of the EDA package (Version 6.0) and the list of publications in which the EDA package has been employed.

Download current version of the EDA package.

WORLDWIDE DISTRIBUTION

Registered users of the EDA package

The EDA package is officially used by laboratories in the following countries (in alphabetic order):
Bulgaria, France, Germany, India, Italy, Japan, Korea, Latvia, P.R.China, Russia, Spain, Senegal, United Kingdom and United States of America.

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Download EDABENCH program to measure the EDA Performance Index for your computer.

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