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 HDF...

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Hauptverfasser: Gruene, Tim, Wennmacher, Julian T. C., Holstein, Julian J., Zaubitzer, Christian, Heidler, Jonas, Fecteau-Lefebvre, Ariane, Carlo, Sacha De, Müller, Elisabeth, Goldie, Kenneth N., Regeni, Irene, Li, Teng, Santiso-Quinones, Gustavo, Steinfeld, Gunther, Handschin, Stephan, Bokhoven, Jeroen A. Van, Clever, Guido H., Pantelic, Radosav
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Sprache:eng
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Zusammenfassung: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
DOI:10.5281/zenodo.1297082