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通过迭代投影进行多光束布拉格强度反演以确定相位:从衍射数据中去除多重散射伪影

Inversion of Many-Beam Bragg Intensities for Phasing by Iterated Projections: Removal of Multiple Scattering Artifacts from Diffraction Data.

作者信息

Donatelli Jeffrey J, Spence John C H

机构信息

Department of Applied Mathematics, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.

Center for Advanced Mathematics for Energy Research Applications, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.

出版信息

Phys Rev Lett. 2020 Aug 7;125(6):065502. doi: 10.1103/PhysRevLett.125.065502.

Abstract

An iterated projection algorithm (N-Phaser) is developed that reconstructs a scattering potential from N-beam multiple Bragg scattered intensities. The method may be used to eliminate multiple scattering artifacts from electron diffraction data, solving the phase problem and increasing the thicknesses of samples used in materials science, solid-state chemistry, and small molecule crystallography. For high-energy transmission electron diffraction, we show that the algorithm recovers accurate complex structure factors from a wide range of thicknesses, orientations, and relativistic beam energies, and does not require known thickness or atomic-resolution data if sufficient multiple scattering occurs. Extensions to Cryo-electron microscopy and Micro-electron diffraction are suggested.

摘要

开发了一种迭代投影算法(N-Phaser),该算法可根据N束多重布拉格散射强度重建散射势。该方法可用于消除电子衍射数据中的多重散射伪影,解决相位问题,并增加材料科学、固态化学和小分子晶体学中所用样品的厚度。对于高能透射电子衍射,我们表明该算法能从各种厚度、取向和相对论束能量中恢复准确的复结构因子,并且如果发生足够的多重散射,则不需要已知厚度或原子分辨率数据。还提出了对冷冻电子显微镜和微电子衍射的扩展。

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