3D Electron Diffraction data of GSF form I

3D electron diffraction (3D ED) data of griseofulvin (GSF) form I collected automatically using software EPU-D at 100 K on a ThermoFisher Titan Krios (300 kV) equipped with a CETA-D detector. A total of 231 datasets were collected from a sample containing multiple phases of GSF in 2 days. Crystal identification and selection were performed by an operator while 3D ED data collection was carried out fully automatically. Data was processed automatically by software package edtools (https://doi.org/10.5281/zenodo.6953489) using XDS (https://doi.org/10.1107/S0907444909047337). A hierarchical clustering analysis (HCA) algorithm implemented in edtools was used to cluster the datasets belonging to the same phase through the Euclidean distance between the unit cell parameters. Out of the 231 datasets collected, 31 datasets were idneitified as GSF form I.本数据集为灰黄霉素（griseofulvin，GSF）I型晶型的三维电子衍射（3D electron diffraction，3D ED）数据，于100 K温度下，在搭载CETA-D探测器的赛默飞世尔（ThermoFisher）Titan Krios（300 kV）透射电镜上，通过软件EPU-D自动采集得到。 本次实验在2天内从包含多种GSF晶型的样品中共采集得到231组数据集。其中，晶体识别与挑选环节由人工操作员完成，而三维电子衍射数据采集流程则全程自动执行。数据处理由软件包edtools（https://doi.org/10.5281/zenodo.6953489）结合XDS（https://doi.org/10.1107/S0907444909047337）自动完成。edtools中集成的层级聚类分析（hierarchical clustering analysis，HCA）算法，通过晶胞参数间的欧氏距离对属于同一晶型的数据集进行聚类。在本次采集的231组数据集中，最终有31组被鉴定为GSF I型晶型数据集。