Name: Single Crystal 3D ED Electron Diffraction Dataset (University of Southampton NCS/NEDF) for Sample Screening Description: Aggregated dataset of 3D ED electron diffraction experiments to train a machine learning model to classify experiments as 'good'/'bad'/'complex' quality which indicates whether a diffraction pattern would be likely to produce a reasonable crystal structure. Type: Dataset Date published: 2026-04-20T00:00:00Z Version: 1.0.0 License: Creative Commons Attribution 4.0 International (https://creativecommons.org/licenses/by/4.0/) Keywords: None Main entity: metadata.csv About: None
| Location | File | Format | Description | |---|---|---|---| | / | learning_set.zip | application/zip | zip file containing the 3D diffraction image files for each experiment, arranged in a folder which indicates their grid and experiment number and with name indicated by the 'diff_img_tiff_filename' column of metadata.csv. All identifiers have been anonymised. | | / | metadata.csv | text/csv | Key parameters for each experiment obtained by initial processing of the electron diffraction patterns (as indicated by the 'processing_program' column) and then by using a custom script (based on https://github.com/robertbuecker/cap-tools/blob/main/generate_learning_set.py). |