DENZO and SCALEPACK
DENZO and SCALEPACK
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DENZO 和 ScalePACK
DOI：
10.1107/97809553602060000833
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发表时间：
2012
期刊：
影响因子：
--
通讯作者：
M. Cymborowski
中科院分区：
文献类型：
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作者：
Z. Otwinowski;W. Minor;D. Borek;M. Cymborowski
本章介绍了原始衍射数据的分析，用于产生缩放和合并的衍射振幅。在程序DENZO和SCALEPACK中如何执行该过程的上下文中提供了该过程的一般描述。数据分析确定了影响最终结果质量的衍射实验的许多参数，为晶体学家遇到的问题提供了灵活而强大的方法。涵盖的主题包括：从完美的晶格衍射;自动索引;坐标系;实验假设;衍射图案的预测;检测器诊断;乘法校正（缩放）;全局或后细化;以及通过图形界面进行控制。
This chapter describes the analysis of raw diffraction data, used to produce scaled and merged diffraction amplitudes. The general description of the process is provided within the context of how it is performed in the programs DENZO and SCALEPACK. The data analysis determines many parameters of the diffraction experiment that impact the quality of the final result, providing a flexible and robust approach to problems encountered by crystallographers. Topics covered include: diffraction from a perfect crystal lattice; autoindexing; coordinate systems; experimental assumptions; prediction of the diffraction pattern; detector diagnostics; multiplicative corrections (scaling); global or post refinement; and control through a graphical interface.