Error estimation and bias correction in phase-improvement calculations
Error estimation and bias correction in phase-improvement calculations
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DOI：
10.1107/s0907444999007416
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发表时间：
1999-09-01
期刊：
影响因子：
--
通讯作者：
Cowtan, K
中科院分区：
文献类型：
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作者：
Cowtan, K
随着晶体学中贝叶斯方法的兴起，与估计相位相关的误差估计变得与相位估计本身一样重要。在这种环境中，通过密度修改的相位改进可能会引起问题，因为所得相位的质量通常被高估。这个问题可以通过伽马校正的扩展来解决[Abrahams（1997）。Acta Cryst.D53，371-376]到任意密度修改技术。改进的相位偏置的初始地图的功能的程度进行了研究，以确定所产生的过程和相位误差估计的质量的限制。
With the rise of Bayesian methods in crystallography, the error estimates attached to estimated phases are becoming as important as the phase estimates themselves. Phase improvement by density modification can cause problems in this environment because the quality of the resulting phases is usually overestimated. This problem is addressed by an extension of the gamma correction [Abrahams (1997). Acta Cryst. D53, 371-376] to arbitrary density-modification techniques. The degree to which the improved phases are biased by the features of the initial map is investigated in order to determine the limits of the resulting procedure and the quality of the phase-error estimates.