化学晶体学:什么时候“坏数据”是“好数据”?

IF 2 2区 化学 Q2 CRYSTALLOGRAPHY
A. Thompson
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引用次数: 5

摘要

摘要越来越多的趋势是将衍射数据收集减少到一组数字,将晶体学减少到一系列标准。这些标准中的许多已经代代相传。在化学晶体学中,大多数小分子单晶衍射数据仍然是使用实验室设备收集的。在此,我们回顾了分析数据的方法,讨论了对数据质量的一些影响,并试图确定一些广泛使用的验证比喻是合理的建议还是“中国耳语”。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Chemical Crystallography: when are ‘ bad data’ ‘good data’?
Abstract There is an increasing trend to reduce diffraction data collection to a set of numbers and the crystallography to a set of criteria. Many of these criteria have been passed on through generations of crystallographers. In Chemical Crystallography, the majority of small-molecule singe crystal diffraction data are still collected using laboratory equipment. Herein we review the methods for analysing data, discuss some of the influences on data quality and try to determine whether some of the validation tropes widely used are sound advice, or ‘Chinese Whispers’.
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来源期刊
Crystallography Reviews
Crystallography Reviews CRYSTALLOGRAPHY-
CiteScore
3.70
自引率
0.00%
发文量
16
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.
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