Terwilliger Thomas C
Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
Acta Crystallogr D Biol Crystallogr. 2002 Dec;58(Pt 12):2082-6. doi: 10.1107/s0907444902016360. Epub 2002 Nov 23.
Statistical density modification is a technique for phase improvement through a calculation of the posterior probability of the phases, given experimental phase information and expectations about features of the electron-density map. The technique can take advantage of both estimates of electron density in the map and uncertainties or probability distributions for those estimates. For crystals with non-crystallographic symmetry (NCS), this allows the use of the expected similarity of electron density at NCS-related points without requiring an implicit assumption that these regions are identical.
统计密度修正法是一种通过计算相位的后验概率来改善相位的技术,计算时需给出实验相位信息以及对电子密度图特征的预期。该技术既可以利用电子密度图中的密度估计值,也可以利用这些估计值的不确定性或概率分布。对于具有非晶体学对称性(NCS)的晶体,这使得可以利用NCS相关点处电子密度的预期相似性,而无需隐含假设这些区域是相同的。