HAZARDS OF OBLIQUE COORDINATE SYSTEMS - A REMINDER

被引：5

作者：

MUIR, KW

MALLINSON, PR

机构：

[1] Univ of Glasgow, Glasgow

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1993年 / 26卷

关键词：

D O I：

10.1107/S0021889892011774

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A reminder is given that ignoring correlations between fractional coordinates in an oblique coordinate system can lead to inaccuracies in the estimation of standard deviations of bond lengths and other derived quantities. Methods based on a paper by Templeton [Acta Cryst. (1959), 12, 771-773} are suggested to make approximate allowance for the effect when the parameter variance matrix is unavailable.

引用

页码：142 / 143

页数：2