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New methods for indexing multi-lattice diffraction data

机译:索引多晶格衍射数据的新方法

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摘要

A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ∼1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling.
机译:提出了一种新的索引方法,该方法能够从衍射数据的窄楔形中索引多个晶格。该方法利用了基于傅立叶变换的方法的简化,该方法适用于先验已知单元格尺寸的情况。从大约1μm大小的晶体中记录的半合成多晶格数据和实际多晶格数据都证明了该方法的有效性,其中表明最多可以成功索引六个晶格,然后从a中整合它们。 1°数据楔形。提出的分析表明,通过在缩放之前准确识别和拒绝重叠反射,可以提高数据质量指标。

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