EDA: EXAFS Data Analysis software package
Alexei Kuzmin
TL;DR
The EDA software package provides comprehensive tools for EXAFS data analysis, including extraction, filtering, fitting, and advanced reconstruction methods, facilitating detailed structural insights from X-ray absorption data.
Contribution
It introduces a Windows-based software suite that integrates conventional EXAFS analysis with advanced RDF reconstruction and configurational averaging capabilities.
Findings
Supports all steps of EXAFS data analysis
Includes advanced RDF reconstruction method
Enables configurational averaging from simulations
Abstract
The EXAFS data analysis software package EDA consists of a suite of programs running under Windows operating system environment and designed to perform all steps of conventional EXAFS data analysis such as the extraction of the XANES/EXAFS parts of the x-ray absorption coefficient, the Fourier filtering, the EXAFS fitting using the Gaussian and cumulant models. Besides, the package includes two advanced approaches, which allow one to reconstruct the radial distribution function (RDF) from EXAFS based on the regularization-like method and to calculate configurationalaveraged EXAFS using a set of atomic configurations obtained from molecular dynamics or Monte Carlo simulations.
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