Decision making in xia2.
Decision making in xia2.
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DOI：
10.1107/s0907444913015308
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发表时间：
2013-07
期刊：
影响因子：
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通讯作者：
Prince SM
中科院分区：
文献类型：
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作者：
Winter G;Lobley CM;Prince SM
描述了程序 xia2 中的决策基础以及支持这些协议的框架。在适当的情况下，突出显示了这些协议在交互式数据处理中的应用。 xia2 是一个专家系统，用于使用值得信赖的现有软件自动减少大分子晶体学 (MX) 数据。该系统可以处理完整的 MX 数据集，该数据集由一个或多个波长的一个或多个图像序列组成，从图像到结构因子振幅，无需用户输入。为了实现这一目标，做出了许多决定，此处描述了其基本原理。此外，支持假设检验并允许将分析后期的结果反馈到做出决策的早期点也至关重要：此处总结了 xia2 用于支持这种反馈的灵活框架。虽然这里描述的决策协议是为 xia2 开发的，但它们同样适用于交互式数据缩减。
The basis for decision making in the program xia2 is described, alongside the framework to support these protocols. Where appropriate, applications of these protocols to interactive data processing are highlighted. xia2 is an expert system for the automated reduction of macromolecular crystallography (MX) data employing well trusted existing software. The system can process a full MX data set consisting of one or more sequences of images at one or more wavelengths from images to structure-factor amplitudes with no user input. To achieve this many decisions are made, the rationale for which is described here. In addition, it is critical to support the testing of hypotheses and to allow feedback of results from later stages in the analysis to earlier points where decisions were made: the flexible framework employed by xia2 to support this feedback is summarized here. While the decision-making protocols described here were developed for xia2, they are equally applicable to interactive data reduction.