Autoindexing diffraction images with iMosflm.
Autoindexing diffraction images with iMosflm.
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DOI：
10.1107/s0907444912048524
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发表时间：
2013-07
期刊：
影响因子：
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通讯作者：
Leslie AG
中科院分区：
文献类型：
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作者：
Powell HR;Johnson O;Leslie AG
描述了基于一维fft的衍射图像自动标引的原理以及可能出现的实际问题。提出了一个在iMosflm中实现的多格索引程序。综述了基于一维快速傅里叶变换的自标引衍射图像。本文描述了该算法在Mosflm/iMosflm程序套件中的实现，并讨论了可能出现的实际问题以及评估该过程成功或失败的方法。最近的发展允许对显示多个格的图像进行索引，并且有几个例子证明了这种方法在实际情况下的成功。
The principles of one-dimensional FFT-based autoindexing of diffraction images are described together with practical issues that may arise. A procedure for indexing multiple lattices as implemented in iMosflm is presented. An overview of autoindexing diffraction images based on one-dimensional fast Fourier transforms is presented. The implementation of the algorithm in the Mosflm/iMosflm program suite is described with a discussion of practical issues that may arise and ways of assessing the success or failure of the procedure. Recent developments allow indexing of images that show multiple lattices, and several examples demonstrate the success of this approach in real cases.