PyXAS - an open-source package for 2D X-ray near-edge spectroscopy analysis
PyXAS - an open-source package for 2D X-ray near-edge spectroscopy analysis
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DOI：
10.1107/s1600577520001071
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发表时间：
2020-03-01
影响因子：
2.5
通讯作者：
Lee, Wah-Keat
中科院分区：
文献类型：
--
作者：
Ge, Mingyuan;Lee, Wah-Keat
在同步加速器X射线社区中，X射线吸收近边光谱（XANES）是一种广泛使用的技术，用于探测样品中特定元素的局部配位环境和氧化态。虽然这种技术通常适用于批量样品，新的同步辐射源的出现，使空间分辨版本的这种技术（二维XANES）。这种发展对于异构系统的研究是非常强大的，这是几乎所有真实的应用程序的情况。然而，与2D XANES的开发相关的是分析大量数据的挑战。作为示例，在同步加速器处的单个2D XANES测量可以容易地产生类似于10（6）个空间分辨的XANES光谱。单个XANES光谱的常规手动分析不再可行。在这里，描述了一个软件包，已开发的高通量2D XANES分析。提供了软件的详细描述以及示例应用程序。
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 similar to 10(6) 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.