Recovery of data from perfectly twinned virus crystals revisited.
Recovery of data from perfectly twinned virus crystals revisited.
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DOI：
10.1107/s2059798316007117
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发表时间：
2016-06
期刊：
影响因子：
--
通讯作者：
Stuart DI
中科院分区：
文献类型：
--
作者：
Ginn HM;Stuart DI
一个迭代方法的地图恢复完美的半面体孪晶晶体中存在的非晶体对称性重新实施和发布，并提供了一个独立的度量成功。晶体的完美缺面体孪晶并不罕见，并且使结构分析复杂化。本文提出了一种在非晶体学对称性（NCS）条件下对完全半面体孪晶数据进行反卷积的迭代方法。结果表明，该方法恢复数据有效地使用测试数据，和一个独立的成功的度量，基于特殊类别的反射，不受双算子，现在提供。该方法被施加到一个真实的问题，五倍NCS和质量较差的衍射数据，它被发现，即使在这些情况下，该方法似乎恢复大部分的信息。该软件已经以可应用于其他晶体系统的形式提供。
An iterative method of map recovery for perfectly merohedrally twinned crystals in the presence of noncrystallographic symmetry is reimplemented and released and an independent metric of success is provided. Perfect merohedral twinning of crystals is not uncommon and complicates structural analysis. An iterative method for the deconvolution of data from perfectly merohedrally twinned crystals in the presence of noncrystallographic symmetry (NCS) has been reimplemented. It is shown that the method recovers the data effectively using test data, and an independent metric of success, based on special classes of reflections that are unaffected by the twin operator, is now provided. The method was applied to a real problem with fivefold NCS and rather poor-quality diffraction data, and it was found that even in these circumstances the method appears to recover most of the information. The software has been made available in a form that can be applied to other crystal systems.