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Path aggregation techniques for EXAFS visualization and analysis

Published

Author(s)

Bruce D. Ravel

Abstract

The path expansion model used by feff considers the EXAFS spectrum as the sum of contributions from scattering geometries of two or more atoms in a cluster surrounding the absorbing atom. This model and its representation as a collection of les is the basis for a number of popular EXAFS analysis programs, including one co-developed by me. Here I present several tools which build upon the scattering path model to articulate analysis and visualization capabilities not normally included in feff-based analysis software. These include the generation of arbitrary single-scattering paths not represented in feffs input structure, consideration of non-Gaussian and non-cumulant distribution functions, easy visualization of arbitrary path summations, and others. Each of these tools is tightly integrated into the artemis EXAFS analysis program, making these analysis and visualization tools easily and widely available.
Citation
Journal of Physics: Conference Series
Volume
430

Keywords

EXAFS, data analysis, software

Citation

Ravel, B. (2013), Path aggregation techniques for EXAFS visualization and analysis, Journal of Physics: Conference Series, [online], https://doi.org/10.1088/1742-6596/430/1/012006 (Accessed February 29, 2024)
Created April 1, 2013, Updated October 13, 2022