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

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Inversion of Many-Beam Bragg Intensities for Phasing by Iterated Projections: Removal of Multiple Scattering Artifacts from Diffraction Data.
Physical Review Letters ( IF 8.1 ) Pub Date : 2020-08-06 , DOI: 10.1103/physrevlett.125.065502
Jeffrey J Donatelli _{1,

2} , John C H Spence ₃

Affiliation

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.

中文翻译：

多光束布拉格强度的反演用于迭代投影的定相：从衍射数据中去除多个散射伪像。

开发了一种迭代投影算法（N-Phaser），可从中重建散射势

ñ

束多个布拉格散射强度。该方法可用于消除电子衍射数据中的多个散射伪影，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使用的样品的厚度。对于高能透射电子衍射，我们表明该算法可从各种厚度，方向和相对论性束能量中恢复准确的复杂结构因子，并且如果发生足够的多次散射，则不需要已知的厚度或原子分辨率数据。建议扩展至低温电子显微镜和微电子衍射。

更新日期：2020-08-06

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