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用于密度修正的各种算法。

Miscellaneous algorithms for density modification.

作者信息

Cowtan K, Main P

机构信息

University of York, Heslington, York YO1 5DD, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 1998 Jul 1;54(Pt 4):487-93. doi: 10.1107/s0907444997011980.

Abstract

Various algorithms are described, developed for the dm density modification package, which have not been described elsewhere. Methods are described for the following problems: determination of the absolute scale and overall temperature factor of a data set, by a method which is less dependent on data resolution than Wilson statistics; an efficient interpolation algorithm for averaging and its application to refinement of averaging operators; a method for the automatic determination of averaging masks.

摘要

描述了为dm密度修正程序包开发的各种算法,这些算法在其他地方尚未有过描述。针对以下问题描述了相关方法:通过一种比威尔逊统计法对数据分辨率依赖性更小的方法来确定数据集的绝对标度和整体温度因子;一种用于平均的高效插值算法及其在平均算子精修中的应用;一种自动确定平均掩膜的方法。

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