Open AccessATHENA , ARTEMIS , HEPHAESTUS : data analysis for X‐ray absorption spectroscopy using IFEFFIT
Author(s) -
Ravel B.,
Newville M.
Publication year - 2005
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049505012719
Subject(s) - x ray absorption spectroscopy , perl , beamline , computer science , software , graphics , spectroscopy , absorption (acoustics) , extended x ray absorption fine structure , absorption spectroscopy , computational science , computer graphics (images) , optics , physics , operating system , beam (structure) , quantum mechanics
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.