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提高XAFS数据的质量。

Improving the quality of XAFS data.

作者信息

Abe Hitoshi, Aquilanti Giuliana, Boada Roberto, Bunker Bruce, Glatzel Pieter, Nachtegaal Maarten, Pascarelli Sakura

机构信息

High Energy Accelerator Research Organization (KEK), Tsukuba, Japan.

Elettra-Sincrotrone Trieste, Basovizza, Italy.

出版信息

J Synchrotron Radiat. 2018 Jul 1;25(Pt 4):972-980. doi: 10.1107/S1600577518006021. Epub 2018 May 29.

Abstract

Following the Q2XAFS Workshop and Satellite to IUCr Congress 2017 on `Data Acquisition, Treatment, Storage - quality assurance in XAFS spectroscopy', a summary is given of the discussion on different aspects of a XAFS experiment that affect data quality. Some pertinent problems ranging from sources and minimization of noise to harmonic contamination and uncompensated monochromator glitches were addressed. Also, an overview is given of the major limitations and pitfalls of a selection of related methods, such as photon-out spectroscopies and energy-dispersive XAFS, and of increasingly common applications, namely studies at high pressure, and time-resolved investigations of catalysts in operando. Advice on how to avoid or deal with these problems and a few good practice recommendations are reported, including how to correctly report results.

摘要

继2017年国际晶体学联盟大会关于“XAFS光谱学中的数据采集、处理、存储——质量保证”的Q2XAFS研讨会及卫星会议之后,本文总结了关于影响数据质量的XAFS实验不同方面的讨论。探讨了一些相关问题,范围从噪声源及噪声最小化到谐波污染和未补偿的单色仪故障。此外,还概述了一系列相关方法(如光子出射光谱学和能量色散XAFS)的主要局限性和陷阱,以及越来越常见的应用,即高压研究和催化剂原位的时间分辨研究。报告了关于如何避免或处理这些问题的建议以及一些良好实践建议,包括如何正确报告结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/97dc/6038603/5a52c82db960/s-25-00972-fig1.jpg

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