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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Simple algorithm for a maximum-likelihood SAD function.
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Simple algorithm for a maximum-likelihood SAD function.

机译:简单的算法的最大似然伤心函数。

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摘要

Recently, the multivariate complex normal distribution has been used to develop a maximum-likelihood probability function for single-wavelength anomalous diffraction phasing and refinement of heavy-atom parameters [Pannu & Read (2004), Acta Cryst. D60, 22-27]. The function accounts explicitly for the correlations between the observed and calculated Friedel mates and their errors. However, the method of derivation of the equation described by Pannu & Read (2004) leads to a complicated likelihood expression that suffers from a number of algorithmic limitations. Here, an alternative derivation of the P(SAD) function is described that leads to simplified algorithmic requirements and that allows an intuitive understanding of the expression.
机译:最近,多元复杂的正常已经被用于开发一个分布最大似然概率函数单波长反常衍射逐步[Pannu &和细化的重原子参数阅读(2004),《结晶。功能明确的相关性观察和计算之间的弗里德伴侣和他们的错误。推导的方程所描述的Pannu &阅读(2004)导致一个复杂的可能性表达式,患有一些算法的局限性。P (SAD)函数的推导导致简化算法的要求这允许一个直观的了解表达式。

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