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Title: PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis

Abstract

In the synchrotron X-ray community, X-ray absorption near-edge spectroscopy (XANES) is a widely used technique to probe the local coordination environment and the oxidation states of specific elements within a sample. Although this technique is usually applied to bulk samples, the advent of new synchrotron sources has enabled spatially resolved versions of this technique (2D XANES). This development has been extremely powerful for the study of heterogeneous systems, which is the case for nearly all real applications. However, associated with the development of 2D XANES comes the challenge of analyzing very large volumes of data. As an example, a single 2D XANES measurement at a synchrotron can easily produce ~106 spatially resolved XANES spectra. Conventional manual analysis of an individual XANES spectrum is no longer feasible. Here, a software package is described that has been developed for high-throughput 2D XANES analysis. A detailed description of the software as well as example applications are provided.

Authors:
 [1];  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1601344
Report Number(s):
[BNL-213656-2020-JAAM]
[Journal ID: ISSN 1600-5775; JSYRES]
Grant/Contract Number:  
[SC0012704]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Synchrotron Radiation (Online)
Additional Journal Information:
[Journal Name: Journal of Synchrotron Radiation (Online); Journal Volume: 27; Journal Issue: 2]; Journal ID: ISSN 1600-5775
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; X-ray spectroscopy analysis; X-ray absorption near-edge spectroscopy; transmission X-ray microscopy; X-ray image analysis

Citation Formats

Ge, Mingyuan, and Lee, Wah-Keat. PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis. United States: N. p., 2020. Web. doi:10.1107/S1600577520001071.
Ge, Mingyuan, & Lee, Wah-Keat. PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis. United States. doi:10.1107/S1600577520001071.
Ge, Mingyuan, and Lee, Wah-Keat. Thu . "PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis". United States. doi:10.1107/S1600577520001071.
@article{osti_1601344,
title = {PyXAS – an open-source package for 2D X-ray near-edge spectroscopy analysis},
author = {Ge, Mingyuan and Lee, Wah-Keat},
abstractNote = {In the synchrotron X-ray community, X-ray absorption near-edge spectroscopy (XANES) is a widely used technique to probe the local coordination environment and the oxidation states of specific elements within a sample. Although this technique is usually applied to bulk samples, the advent of new synchrotron sources has enabled spatially resolved versions of this technique (2D XANES). This development has been extremely powerful for the study of heterogeneous systems, which is the case for nearly all real applications. However, associated with the development of 2D XANES comes the challenge of analyzing very large volumes of data. As an example, a single 2D XANES measurement at a synchrotron can easily produce ~106 spatially resolved XANES spectra. Conventional manual analysis of an individual XANES spectrum is no longer feasible. Here, a software package is described that has been developed for high-throughput 2D XANES analysis. A detailed description of the software as well as example applications are provided.},
doi = {10.1107/S1600577520001071},
journal = {Journal of Synchrotron Radiation (Online)},
number = [2],
volume = [27],
place = {United States},
year = {2020},
month = {2}
}

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