ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT

A software package for the analysis of X‐ray absorption spectroscopy (XAS) data is presented. This package is based on the IFEFFIT library of numerical and XAS algorithms and is written in the Perl programming language using the Perl/Tk graphics toolkit. The programs described here are: (i) ATHENA,...

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Bibliographic Details
Published in:Journal of synchrotron radiation 2005-07, Vol.12 (4), p.537-541
Main Authors: Ravel, B., Newville, M.
Format: Article
Language:English
Subjects:
Algorithms
Computer Graphics
Computer Simulation
data analysis
Databases, Factual
FEFF
IFEFFIT
Models, Chemical
Software
Spectrometry, X-Ray Emission - methods
User-Computer Interface
X-Ray Diffraction - methods
XAS
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Description
Summary:A software package for the analysis of X‐ray absorption spectroscopy (XAS) data is presented. This package is based on the IFEFFIT library of numerical and XAS algorithms and is written in the Perl programming language using the Perl/Tk graphics toolkit. The programs described here are: (i) ATHENA, a program for XAS data processing, (ii) ARTEMIS, a program for EXAFS data analysis using theoretical standards from FEFF and (iii) HEPHAESTUS, a collection of beamline utilities based on tables of atomic absorption data. These programs enable high‐quality data analysis that is accessible to novices while still powerful enough to meet the demands of an expert practitioner. The programs run on all major computer platforms and are freely available under the terms of a free software license.
ISSN:1600-5775
0909-0495
1600-5775
DOI:10.1107/S0909049505012719