Rapid structure determination of microcrystalline molecular compounds using electron diffraction (nanoArgovia Project A3EDPI)

The are the data linked to the publication "Rapid structure determination of microcrystalline molecular compounds using electron diffraction", 10.1002/anie.201811318. Electron Diffraction data collected with an EIGER X 1M detector (DECTRIS Ltd.).

Each tar file contains the raw files in HDF5 format, together with the XDS.INP file used for data integration. Images of the respective crystals have '_img_' in their file names. The log files for recording the stage alpha angle are included with the same name and suffix .txt. See publication for details.

NB: The meta-data in the HDF5 files have no meaning, please refer to the respective XDS.INP file for respective information.

The crystallographic data (CIF-files) have been uploaded to the ICSD (High--throughput Structural Chemistry with Electron Diffraction) and CSD (https://www.ccdc.cam.ac.uk/) respectively:

Paracetamol from Grippostad CCDC 1856579
electron structure of MBBF4 CCDC 1856580

ZSM-5 x227 CSD 1856581

ZSM-5 x331 CSD 1856582

ZSM-5 x79  CSD 1856583
ZSM-5 x811 CSD 1856584