On integrating direct methods and isomorphous replacement techniques .2. The quartet invariant estimate

被引：7

作者：

Giacovazzo, C

Siliqi, D

机构：

[1] DIPARTIMENTO GEOMINERAL,CNR,IST RIC SVILUPPO METODOL CRISTALLOG,I-70125 BARI,ITALY

[2] UNIV TIRANA,FAC NAT SCI,DEPT INORGAN CHEM,LAB XRAY DIFFRACT,TIRANE,ALBANIA

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 1996年 / 52卷

关键词：

D O I：

10.1107/S0108767395012189

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In a preceding paper [Giacovazzo & Siliqi (1996). Acta Cryst. A52, 133-142], the joint probability distribution of seven pairs of isomorphous structure factors was derived. Its complicated mathematical expressions are here simplified by introducing the assumption that isomorphism is due to heavy-atom addition to the native structure. The reliability of the conclusive formula for calculated error-free data perfectly agrees with expectations. The formula, however, is not robust against lack of isomorphism and errors in measurements: in the paper, theoretical reasons are given justifying this behaviour. The use of the prior information on the heavy-atom structure markedly improves the formula, which then proves suitable for practical applications.

引用

页码：143 / 151

页数：9

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