Some further considerations in powder diffraction pattern indexing with the dichotomy method
Some further considerations in powder diffraction pattern indexing with the dichotomy method
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DOI：
10.1017/s0885715614000906
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发表时间：
2014-12-01
影响因子：
0.5
通讯作者：
Boultif, Ali
中科院分区：
文献类型：
--
作者：
Louer, Daniel;Boultif, Ali
介绍了目前用二分法编制粉末衍射图索引的计算机程序的一些改进。由此产生的版本DICVOL14包括优化和扩展三斜病例的扫描限制，对索引解决方案输入数据的详细审查，细胞中心测试和零点偏移评估的新方法。新版本的性能说明了许多例子，如具有长轴和优势带的三斜病例。讨论了基于二分类算法的模式索引中的一些重要参数，如数据的精度和杂散线。(C) 2014年国际衍射数据中心。
Some improvements have been introduced in the current computer program for powder diffraction pattern indexing using the dichotomy algorithm. The resulting version, DICVOL14, includes optimizations and extension of scanning limits for triclinic cases, a detailed review of the input data from the indexing solutions, cell centering tests and a new approach for zero-point offset evaluation. The performance of the new version is illustrated with many examples, such as triclinic cases with long axes and dominant zones. Some important parameters in pattern indexing based on the dichotomy algorithm are commented upon, e.g. the precision of data and spurious lines. (C) 2014 International Centre for Diffraction Data.