SEDEM Software package for Exafs Data Extraction and Modeling

Abstract

This " SEDEM " package is divided in four items :

The XAFS item is used to extract the EXAFS from raw data which can by read on line during acquisition. The tools for extraction are built in order to provide a very accurate control on every step. No extrapolation of base line is necessary. The decreasing behaviour of data intensity is modeled according to the atomic absorption computed with the Cromer & Liberman fPrime program.
The small XAFSSUM item is designed to sum spectra before processing, with special care to any possible dispersion of the data in energy.
The MODL item is used for simulation and modelisation. Reference data may be either extracted from experiment, or read from FEFF files. McKale tables are also available. Procedures for decorrelation of phases and amplitudes are implemented, which are more efficient to obtained best parameters than the classical gradient minimization algorithm, under the condition that a good reference is available. It also permits to handel non harmonic systems via a Cumulant expansion. Statistics includes statistical uncertainties of data, output of correlation matrix, and calculations of correlations between pairs of parameters.
The small CUMUL item is intended to recover the distance distribution function, given the cumulant expansion of the non harmonic or disordered material.

Author: Daniel Aberdam
Platforms: DOS and DOS under Windows
Terms: free download
Homepage: http://www.esrf.eu/computing/scientific/exafs/SEDEM/SEDEM.html
Contact: Daniel Aberdam -- <SPAM SUPPRESSION aberdam AT polycnrs DASH gre DOT fr>
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