Structure refinement: some background theory and practical strategies

被引：51

作者：

Watkin, David ^{[1
]}

机构：

[1] Univ Oxford, Chem Crystallog Lab, Oxford OX1 2JD, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2008年 / 41卷

关键词：

D O I：

10.1107/S0021889808007279

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Most modern small-molecule refinement programs are based on similar algorithms. Details of these methods are scattered through the literature, sometimes in books that are no longer in print and usually in mathematical detail that makes them unattractive to nonprogrammers. This paper aims to discuss these well established algorithms in nonmathematical language, with the intention of enabling crystallographers to use their favourite programs effectively.

引用

页码：491 / 522

页数：32

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