晶体衍射和拟合数据的度量：对现有数据的回顾和对新数据的需求

IF 2 2区化学 Q2 CRYSTALLOGRAPHY

Crystallography Reviews Pub Date : 2019-04-03 DOI:10.1080/0889311X.2019.1607845

Julian Henn

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引用次数: 2

摘要

本文综述了单晶衍射数据度量的最新进展，并提出了新的发展方向。重点是这些指标如何帮助或防止不仅描述数据，而且为未解决的建模问题提供提示，识别系统错误及其来源。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

ABSTRACT In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources.

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来源期刊

Crystallography Reviews CRYSTALLOGRAPHY-

CiteScore

3.70

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Crystallography Reviews publishes English language reviews on topics in crystallography and crystal growth, covering all theoretical and applied aspects of biological, chemical, industrial, mineralogical and physical crystallography. The intended readership is the crystallographic community at large, as well as scientists working in related fields of interest. It is hoped that the articles will be accessible to all these, and not just specialists in each topic. Full reviews are typically 20 to 80 journal pages long with hundreds of references and the journal also welcomes shorter topical, book, historical, evaluation, biographical, data and key issues reviews.