Suppr超能文献

实空间和倒易空间中的一般二次函数及其在似然定相中的应用。

General quadratic functions in real and reciprocal space and their application to likelihood phasing.

作者信息

Cowtan K

机构信息

Department of Chemistry, University of York, Heslington, York YO10 5DD, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 2000 Dec;56(Pt 12):1612-21. doi: 10.1107/s0907444900013263.

Abstract

A general multivariate quadratic function of the structure factors is constructed and transformed to obtain a quadratic function of the continuous electron density. Two special cases, where structure factors are independent and where electron-density values are independent, are examined. These results are related to the new likelihood-based framework of Terwilliger [Terwilliger (1999), Acta Cryst. D55, pp. 1863-1871] for employing structural information which was previously exploited by means of conventional density-modification calculations. The treatment here involves different assumptions and highlights new features of Terwilliger's calculation. The generalization quadratic construction allows the generation of cross terms relating all reflections and electron densities. Other applications of this approach are considered.

摘要

构建了结构因子的一般多元二次函数,并对其进行变换以得到连续电子密度的二次函数。研究了两种特殊情况,即结构因子相互独立的情况和电子密度值相互独立的情况。这些结果与特威利格 [特威利格(1999 年),《晶体学报》D55 卷,第 1863 - 1871 页] 基于似然性的新框架相关,该框架用于利用先前通过传统密度修正计算所利用的结构信息。这里的处理涉及不同的假设,并突出了特威利格计算的新特征。广义二次构造允许生成与所有反射和电子密度相关的交叉项。还考虑了该方法的其他应用。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验