Likelihood weighting of partial structure factors using spline coefficients

被引：5

作者：

Cowtan, K ^{[1
]}

机构：

[1] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2005年 / 38卷

关键词：

D O I：

10.1107/S0021889804031474

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A method for the weighting of structure factors from an incomplete and inaccurate model is described which relies on the fitting of smooth spline functions of resolution. The use of smooth spline functions avoids the problems of discontinuities introduced when performing calculations in resolution shells. The complexity of the functions to be fit may be varied by changing the number of spline parameters. This approach is used to investigate the stability of the problem when data are limited.

引用

页码：193 / 198

页数：6

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