Observation of a single protein by ultrafast X-ray diffraction

* runs/ - The raw data from the pnCCD* histograms.h5 - Histogram of the values recorded by each pixel throughout the data acquisition. Used for pedestal and gain correction.* mask.h5 - Detector bad pixels mask.* 1SS8.pdb - PDB model of the assembled GroEL 14-mer, from the 1SS8 PDB entry.* 1SS8_H2O.pdb - Hydrated version of the assembled GroEL 14-mer, derived from the 1SS8 PDB entry. The various hydrated models are created by removing water from this initial model.* rotations.h5 - Quaternions of the rotations used for template matching

runs/ - 包含pnCCD*直方图数据记录的原始数据文件 histograms.h5，该直方图展示了数据采集过程中每个像素所记录的值，用于基准电平和增益校正。mask.h5 - 存储探测器坏点掩膜的文件。1SS8.pdb - 由1SS8 PDB条目组装而成的GroEL 14-mer的PDB模型。1SS8_H2O.pdb - 由1SS8 PDB条目派生的组装GroEL 14-mer的水合版本，通过从初始模型中移除水来创建各种水合模型。rotations.h5 - 用于模板匹配所使用的旋转的四元数。