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飞秒纳米晶体学中的直接相位测定。II. 相位恢复。

Direct phasing in femtosecond nanocrystallography. II. Phase retrieval.

作者信息

Chen Joe P J, Spence John C H, Millane Rick P

机构信息

Computational Imaging Group, Department of Electrical and Computer Engineering, University of Canterbury, Christchurch, New Zealand.

Department of Physics, Arizona State University, Tempe, AZ 85287, USA.

出版信息

Acta Crystallogr A Found Adv. 2014 Mar;70(Pt 2):154-61. doi: 10.1107/S2053273313032725. Epub 2014 Jan 15.

Abstract

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 diffraction data [Spence et al. (2011). Opt. Express, 19, 2866-2873]. The estimated continuous transform is highly noisy however [Chen et al. (2014). Acta Cryst. A70, 143-153]. This second of a series of two papers describes a data-selection strategy to ameliorate the effects of the high noise levels and the subsequent use of iterative phase-retrieval algorithms to reconstruct the electron density. Simulation results show that employing such a strategy increases the noise levels that can be tolerated.

摘要

蛋白质纳米晶体的X射线自由电子激光衍射图案提供了布拉格反射之间衍射振幅的信息,为不使用辅助实验衍射数据直接进行相位恢复提供了可能性[斯彭斯等人(2011年)。《光学快报》,19,2866 - 2873]。然而,估计的连续变换具有很高的噪声[陈等人(2014年)。《晶体学报》A70,143 - 153]。这两篇系列论文中的第二篇描述了一种数据选择策略,以减轻高噪声水平的影响,以及随后使用迭代相位恢复算法来重建电子密度。模拟结果表明,采用这种策略可以提高可容忍的噪声水平。

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