|Software package for Exafs Data Extraction and Modeling
||PC (DOS). requires 2 Mo of XMS|
||Download it Here (updated
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:
The SEDEM package is divided in two main 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 adjusted on the atomic absorption
computed from the Cromer & Liberman fPrime program.
Provision is made to carefully evaluate uncertainties.
A small XafsSum item is used to sum raw spectra, with special care to
possible dispersion in energy.
The Modl item is used for simulation and modeling. Reference data may be
either extracted from experiment,
or read from FEFF files. McKale tables are also
available. Besides the classical gradient minimization
algorithm, decorrelation of phases and amplitudes is
implemented. This permits to handle non harmonic
systems via a Cumulant expansion. Statistics includes
standard deviation of data, correlation matrix, merit
factor, and calculations of correlations between pairs
With the small Cumul item one recovers the distance distribution
function, given the cumulant expansion of
the non harmonic or disordered material.
The sedem.zip file contains:
XafsSum.exe, XAFS.exe, Modl.exe, Cumul.exe, the corpus of the software
RTM.exe, DPMI16b.ovl, EGAVGA.bgi, litt.Chr,
accessories required to run.
XAFSdoc.txt, ModlDoc.txt, containing first contact informations.
The four compacted *.exe of McKale's tables, which MUST be decompacted,
and frw.08. All MUST be present at their right location.
Kpolyn.dat and Lpolyn.dat, containing the parameters of the polynomial
fits to the Cromer & Liberman mu/ro atomic absorption for K and L
UnixtoPC.exe and zConnect.exe, required to communicate with the
And the whole required directory structure of the package, with some
More information is available Here