Cowtan K
University of York, Heslington, York YO1 5DD, England.
Acta Crystallogr D Biol Crystallogr. 1999 Sep;55(Pt 9):1555-67. doi: 10.1107/s0907444999007416.
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.
随着贝叶斯方法在晶体学中的兴起,与估计相位相关的误差估计变得与相位估计本身同样重要。在这种情况下,通过密度修正进行相位改善可能会引发问题,因为所得相位的质量通常被高估。通过将伽马校正[亚伯拉罕斯(1997年)。《晶体学报》D53,371 - 376]扩展到任意密度修正技术来解决这个问题。研究改进后的相位受初始图谱特征影响的程度,以确定所得程序的局限性以及相位误差估计的质量。