IFEFFIT: interactive XAFS analysis and FEFF fitting

IFEFFIT: interactive XAFS analysis and FEFF fitting
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DOI:
10.1107/s0909049500016964
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发表时间:
2001-03-01
影响因子:
2.5
通讯作者:
Newville, M
Newville, M
中科院分区:
物理与天体物理3区
文献类型:
--
作者:
Newville, M

文献摘要

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介绍了一个XAFS算法的交互式程序和脚本库IFEFFIT。AUTOBK和FEFFIT的核心算法与通用数据操作和交互式图形结合在一个软件包中。IFEFFIT附带了一个命令行程序,可以交互式或批处理模式运行。它还提供了一个函数库,可以从C或Fortran以及高级脚本语言(如Tcl,Perl和Python)轻松使用。使用这个库,一个图形用户界面,快速的“在线”数据分析证明。IFEFFIT是免费提供的开源许可证。鼓励外部使用、开发和贡献。
IFEFFIT, an interactive program and scriptable library of XAFS algorithms is presented. The core algorithms of AUTOBK and FEFFIT have been combined with general data manipulation and interactive graphics into a single package. IFEFFIT comes with a command-line program that can be run either interactively or in batch-mode. It also provides a library of functions that can be used easily from C or Fortran, as well as high level scripting languages such as Tcl, Perl and Python. Using this library, a Graphical User Interface for rapid 'online' data analysis is demonstrated. IFEFFIT is freely available with an Open Source license. Outside use, development, and contributions are encouraged.