pretty_name: RELIX simulation corpus — test split
license: cc-by-4.0
tags:
- crystallography
- diffraction
- rotation-diffraction
- synthetic-data
- physics
viewer: false
RELIX simulation corpus — test split
Authors
- Zhao Zhang — School of Computer Science and Technology, East China Normal University, Shanghai 200062, China
- Zheng Dong — Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
- Zhi Geng — Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
- Rongchao Chen — Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
- Xinlong Dong — School of Computer Science and Technology, East China Normal University, Shanghai 200062, China
- Changbo Wang — School of Data Science and Engineering, East China Normal University, Shanghai 200062, China
- Yi Zhang — Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
- Gaoqi He — School of Computer Science and Technology, East China Normal University, Shanghai 200062, China
This download contains 10,000 source crystals and 100,000 simulated scans from the fixed test split of the RELIX primary corpus. Every crystal has ten scans. Crystal groups remain disjoint across train, validation and test. The original split assignments and raw archive bytes are preserved. This split is an input dataset with simulation reference labels.
The complete corpus has 800,000 training, 100,000 validation and 100,000 test scans. The first public data release contains the test split. Train and val are organized separately for subsequent release.
Download and extract
Download all RELIX-test-NNN.tar volumes and RELIX-test-metadata.zip.
Extract them into the same directory:
mkdir -p data
for volume in RELIX-test-*.tar; do tar -xf "$volume" -C data; done
unzip RELIX-test-metadata.zip -d data
Inputs are in data/test/raw/<crystal_id>.tar.gz; the index, crystal identities,
fixed scan list and generation protocol are in data/test/metadata/.
Each crystal archive contains ten integrated-reflection CSVs, reference-label
sidecars, its source CIF and instrument/generation metadata.
Read a scan
Use the reader from the RELIX repository:
python read_simulation.py /path/to/data/test/raw/2232561.tar.gz --scan 0
The CSV measurement columns are x_px, y_px, angle and I_LP. The h,k,l and qx,qy,qz columns and label sidecars contain simulation references. RELIX's measured-input interface reads observations and supplied instrument geometry.
Source CIFs are from the archived Materials Project export collection. Source
file hashes and grouping fingerprints are in metadata/crystals.jsonl.
The original database release/download date was not recorded.
*.files.json records the unmodified crystal archive identities; DATASET.json
records the outer-volume checksums and counts.
License and attribution
This split is licensed under CC BY 4.0. See LICENSE and
SOURCE_ATTRIBUTION.md for the author and source-structure attribution.
Dataset citation
The published test split contains 10,000 source crystals and 100,000 simulated scans. DOI: 10.57967/hf/10757; registered revision 0ab8d55; CC BY 4.0.
@misc{relix_test_dataset_2026,
author = {Zhang, Zhao and Dong, Zheng and Geng, Zhi and Chen, Rongchao and Dong, Xinlong and Wang, Changbo and Zhang, Yi and He, Gaoqi},
title = {{RELIX} (Revision 0ab8d55)},
year = {2026},
publisher = {Hugging Face},
howpublished = {Hugging Face},
doi = {10.57967/hf/10757},
url = {https://doi.org/10.57967/hf/10757}
}