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Exact and fast calculation of the X-ray pair distribution function
Journal of Applied Crystallography ( IF 5.2 ) Pub Date : 2020-05-13 , DOI: 10.1107/s1600576720004616
Reinhard B Neder 1 , Thomas Proffen 2
Affiliation  

A fast and exact algorithm to calculate the powder pair distribution function (PDF) for the case of periodic structures is presented. The algorithm especially improves X-ray and electron PDF calculations, and the handling of instrumental resolution functions.

中文翻译:


精确快速计算 X 射线对分布函数



提出了一种快速准确的算法来计算周期性结构情况下的粉末对分布函数(PDF)。该算法特别改进了 X 射线和电子 PDF 计算以及仪器分辨率函数的处理。
更新日期:2020-05-13
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