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Aspects of direct phasing in femtosecond nanocrystallography

机译:飞秒纳米晶体学中直接定相的方面

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摘要

X-ray free-electron laser diffraction patterns from protein nanocrystals provide information on the diffracted amplitudes between the Bragg reflections, offering the possibility of direct phase retrieval without the use of ancillary experimental data Proposals for implementing direct phase retrieval are reviewed These approaches are limited by the signal-to-noise levels in the data and the presence of different and incomplete unit cells in the nanocrystals. The effects of low signal to noise can be ameliorated by appropriate selection of the intensity data samples that are used. The effects of incomplete unit cells may be small in some cases, and a unique solution is likely if there are four or fewer molecular orientations in the unit cell.
机译:来自蛋白质纳米晶体的X射线自由电子激光衍射图提供了布拉格反射之间的衍射振幅信息,提供了不使用辅助实验数据即可进行直接相检索的可能性。审查了实施直接相检索的建议,这些方法受到以下限制数据中的信噪比水平以及纳米晶体中存在不同且不完整的晶胞。通过适当选择所使用的强度数据样本,可以改善低信噪比的影响。在某些情况下,不完整的晶胞的影响可能很小,如果晶胞中的分子取向为四个或更少,则可能采用独特的解决方案。

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