Primary X-ray diffraction data for the study "Femtosecond X-ray snapshots reveal correlated displacements of specific distal atoms in a protein crystal"

The data set contains the primary X-ray diffraction data collected at the FemtoMAX beamline from bovine trypsin crystals at room temperature (motor gony). Every image represents a 150 fs X-ray pulse diffracting on the crystal. The photon energy was 11.15 keV (ΔE/E = 0.01), approximately 1 × 10⁷ photon/pulse. The images are stored in compressed numpy file format and the float pixels values describe energy in keV as generated by the time-over-threshold technique. The odd numbered images were recorded without a preceding THz pulse and the even numbered images were recorded after a single cycle THz pulse (2.1 THz peak, FWHM 2 THz) with approximately 50 ps delay. The data set also contain the laser delay associated with a rotation position (motor laserdelay, in seconds). Only one laser delay was recorded per step.本数据集收录了在FemtoMAX光束线（FemtoMAX beamline）上采集的牛胰蛋白酶（bovine trypsin）晶体的X射线衍射原始数据，采集时采用室温条件（温控由电机gony实现）。每一幅图像对应一次150飞秒的X射线脉冲在晶体上的衍射过程。实验所用光子能量为11.15 keV（能量分辨率ΔE/E = 0.01），单脉冲光子数约为1×10⁷。所有图像以压缩NumPy文件格式存储，其浮点型像素值通过过阈值时间（time-over-threshold）技术生成，表征光子能量（单位：keV）。其中，奇数编号图像采集时未施加前置太赫兹（THz）脉冲；偶数编号图像则是在施加单周期太赫兹脉冲（峰值频率2.1 THz，半高全宽（FWHM）2 THz）且延迟约50皮秒后采集得到。本数据集还包含与晶体旋转位置关联的激光延迟数据（对应电机laserdelay，单位：秒），每个采集步长仅记录一组激光延迟值。