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

• Published in: Journal of synchrotron radiation Vol. 12; no. 4; pp. 537 - 541
• Main Authors: Ravel, B., Newville, M.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Munksgaard International Publishers 01.07.2005
• 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
• ISSN: 1600-5775; 0909-0495; 1600-5775
• DOI: 10.1107/S0909049505012719

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.