COMPLETION AND REFINEMENT OF CRYSTAL-STRUCTURES WITH SIR92

被引：5325
作者：
ALTOMARE, A
CASCARANO, G
GIACOVAZZO, C
GUAGLIARDI, A
机构：
[1] Campus Universitario, Bari
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1993年 / 26卷 / pt 3期
关键词：
D O I：
10.1107/S0021889892010331
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An automatic procedure for recovering a complete crystal structure after a direct phasing process is described. The procedure consists mainly of a Fourier recycling method that can be implemented in any direct-methods package. The residual R value attained at the end of the process provides an estimate of the degree of success of the structure determination. The procedure can also be applied using a small molecular fragment as prior information. The procedure has been implemented into SIR92, the successor to SIR88.
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页码：343 / 350
页数：8
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