The partial structure with errors: a probabilistic treatment

被引：23

作者：

Caliandro, R ^{[1
]}

Carrozzini, B ^{[1
]}

Cascarano, GL ^{[1
]}

De Caro, L ^{[1
]}

Giacovazzo, C ^{[1
]}

Moustiakimov, M ^{[1
]}

Siliqi, D ^{[1
]}

机构：

[1] CNR, Inst Crystallog, I-70126 Bari, Italy

来源：

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2005年 / 61卷

关键词：

D O I：

10.1107/S0108767305009013

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The method of the joint probability distribution functions has been applied to the case in which observed ( with errors) and calculated structure factors are available, the latter referred to a part of the structure with finite errors in the coordinates, the thermal parameters and the scattering factors. Results obtained by other authors are confirmed and generalized. A new relationship is found to estimate the parameter sigma(A), affecting the reliability of the estimates of cos(phi - phi(p)). Some practical applications are described.

引用

页码：343 / 349

页数：7

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