ATHENA, ARTEMIS, HEPHAESTUS:: data analysis for X-ray absorption spectroscopy using IFEFFIT
ATHENA, ARTEMIS, HEPHAESTUS:: data analysis for X-ray absorption spectroscopy using IFEFFIT
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DOI：
10.1107/s0909049505012719
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发表时间：
2005-07-01
影响因子：
2.5
通讯作者：
Newville, M
中科院分区：
文献类型：
--
作者：
Ravel, B;Newville, M
本文介绍了一个用于X射线吸收光谱分析的软件包。该软件包基于数值和XAS算法的IFEFFIT库，并使用Perl/Tk图形工具包以Perl编程语言编写。这里所描述的程序是：（一）ATHENA，一个程序XAS数据处理，（二）ARTEMIS，一个程序EXAFS数据分析使用理论标准FEFF和（三）HEPHAESTUS，收集光束线公用事业的基础上表的原子吸收数据。这些程序可以实现高质量的数据分析，新手可以访问，同时仍然足够强大，可以满足专业从业者的需求。这些程序可以在所有主要的计算机平台上运行，并在自由软件许可证的条款下免费提供。
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.