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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >New processing tools for weak and/or spatially overlapped macromolecular diffraction patterns.
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New processing tools for weak and/or spatially overlapped macromolecular diffraction patterns.

机译：新的弱和/或空间处理工具重叠大分子衍射模式。

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摘要

Tools originally developed for the treatment of weak and/or spatially overlapped time-resolved Laue patterns were extended to improve the processing of difficult monochromatic data sets. The integration program PrOW allows deconvolution of spatially overlapped spots which are usually rejected by standard packages. By using dynamically adjusted profile-fitting areas, a carefully built library of reference spots and interpolation of reference profiles, this program also provides a more accurate evaluation of weak spots. In addition, by using Wilson statistics, it allows rejection of non-redundant strong outliers such as zingers, which otherwise may badly corrupt the data. A weighting method for optimizing structure-factor amplitude differences, based on Bayesian statistics and originally applied to low signal-to-noise ratio time-resolved Laue data, is also shown to significantly improve other types of subtle amplitude differences, such as anomalous differences.
机译：最初的治疗开发工具弱和/或空间重叠时间分辨劳厄模式扩展到改善单色数据集的处理困难。集成项目船首允许反褶积通常的空间重叠的地方被标准包。动态调整profile-fitting领域,一个仔细参考点和图书馆插值的参考资料,这个程序还提供了一个更准确的评估薄弱斑点。它允许拒绝冗余强离群值如后者,否则可能严重腐败的数据。优化结构因子振幅基于贝叶斯统计和差异,最初应用于低信噪比时间分辨的劳厄数据也显示显著改善其他类型的微妙振幅差异,如异常的差异。

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