Application of Patterson-function direct methods to materials characterization

Rius J.

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Application of Patterson-function direct methods to materials characterization

机译：Patterson函数直接方法在材料表征中的应用

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The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM), from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of them published in Acta Crystallographica Section A. The common feature of these variants of direct methods is the introduction of the experimental intensities in the form of the Fourier coefficients of origin-free Patterson-type functions, which allows the active use of both strong and weak reflections. The different optimization algorithms are discussed and their performances compared. This review focuses not only on those PFDM applications related to powder diffraction data but also on some recent results obtained with electron diffraction tomography data.

机译：本文的目的是从其起源到现在的状态，对所谓的帕特森函数直接方法（PFDM）进行一般描述。它涵盖了20年的方法学对晶体结构解决方案的贡献，其中大部分发表在《晶体学报》 A部分。这些直接方法的变体的共同特征是，以傅立叶起源系数的形式引入了实验强度。免于Patterson类型的功能，该功能可同时使用强反射和弱反射。讨论了不同的优化算法，并比较了它们的性能。这篇综述不仅关注与粉末衍射数据有关的那些PFDM应用，而且关注电子衍射层析成像数据获得的一些最新结果。

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《IUCrJ》 |2014年第5期|共14页
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Rius J.;
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中图分类晶体学;
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Application of Patterson-function direct methods to materials characterization

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