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Determination of orientations from monochromatic diffraction patterns as the constellation problem

机译:从单色衍射模式作为星座问题的确定

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Determination of crystal orientations from diffraction patterns is directly linked to pattern indexing. The problem of indexing can be seen as matching scattering vectors to vectors of the crystal reciprocal lattice. With known crystal structure, the simplest version of indexing is formulated as the (constellation) problem of matching vectors under rotations: given two sets X and Y of unit vectors, determine a rotation carrying the largest subset of X to a position approximating a subset of Y. It is shown that algorithms for solving the constellation problem establish a framework for several orientation determination methods. A class of these algorithms is based on accumulating contributions in the rotation space. A rotation with the largest accumulation is considered to solve the problem. The contributions can be made by n-tuples of vectors with n starting from 1. Formulas for the points of accumulation are given for arbitrary n ≥ 1. Particularly simple turns out to be the case of 2-tuples. It has a potential of being robust, and it is easy to implement.
机译:从衍射图形的晶体取向的测定与图案指数直接连接。索引的问题可以被视为匹配散射矢量与晶体往复晶格的载体。利用已知的晶体结构,将最简单的索引版本配制成旋转匹配矢量的(星座)问题:给定两个单元X和y的单位向量,确定携带X的最大子集的旋转到近似于近似的位置结果表明,用于解决星座问题的算法建立了几种定向确定方法的框架。一类这些算法基于旋转空间中的累积贡献。认为具有最大累积的旋转来解决问题。贡献可以通过N组的N组,从1.从1.累积点开始,给出任意n≥1.特别简单的结果是2元的情况。它具有强大的潜力,并且很容易实现。

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