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Examples of applying a multivariate Wilson prior to comparative crystallography data

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NIAID Data Ecosystem2026-05-02 收录
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This folder contains four examples of merging crystallographic intensities with a bivariate prior: - time-resolved Laue crystallography of the photoactive yellow protein- anomalous diffraction from serial XFEL crystallography of thermolysin- anomalous diffraction from Laue crystallography of NaI-soaked lysozyme- [fragment screening monochromatic data of Nsp3 Mac1 Every example includes scripts to run `careless` as well as to analyze the outputs in order to reproduce the figures in the double-Wilson manuscript. For every example, there is a `README.md` that describes the contents of each example folder.

本文件夹包含四个结合双变量先验的晶体学强度合并示例: - 光活性黄色蛋白的时间分辨劳厄晶体学(Laue crystallography) - 嗜热菌蛋白酶的串行X射线自由电子激光(X-ray Free Electron Laser, XFEL)晶体学反常衍射 - 碘化钠浸泡溶菌酶的劳厄晶体学反常衍射 - Nsp3 Mac1的片段筛选单色衍射数据 每个示例均附带用于运行`careless`以及分析输出结果的脚本,可复现双威尔逊(double-Wilson)研究论文中的相关图表。每个示例文件夹均配有`README.md`文件,用于说明该文件夹内的具体内容。

创建时间:
2024-11-19
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