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README.md
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license: apache-2.0
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---
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license: apache-2.0
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---
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# Experimental pXRD Dataset (Subset of opXRD)
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This repository open-sources **labeled experimental powder X-ray diffraction (pXRD) data**, released as a **curated subset of the opXRD database**, with data contributions from **HKUST (Guangzhou)**.
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The dataset is intended for **materials informatics, phase identification, and AI-driven XRD analysis**, and is released for research and educational use.
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---
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## Dataset Composition
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The repository contains a total of **1,277 experimental pXRD patterns**, including:
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- **21 original pXRD patterns** measured using **XRed**
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*(HKUST-A dataset)*
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- **499 labeled oxpXRD samples**
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*(HKUST-B dataset)*
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- **752 processed pXRD patterns**, consisting of:
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- **651 pXRD patterns** processed from the **opXRD database**
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- **101 supplemental experimental pXRD patterns** from **HKUST (Guangzhou)**
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---
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## Summary
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| Source | Number of pXRD Patterns |
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|------|--------------------------|
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| HKUST-A (XRed) | 21 |
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| HKUST-B (labeled oxpXRD) | 499 |
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| opXRD (processed) | 651 |
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| HKUST-GZ (supplemental) | 101 |
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| **Total** | **1,277** |
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---
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## Usage and Citation
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If you use this dataset in your research, **please cite both this repository and the opXRD paper**:
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```bibtex
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@dataset{cao2025opxrd_hkust_expdata,
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title = {Experimental pXRD Dataset from HKUST (Guangzhou): A Subset of opXRD},
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author = {Cao, Bin},
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year = {2025},
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publisher = {Hugging Face Datasets},
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url = {https://huggingface.co/datasets/caobin/opxrd_hkust_expdata},
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license = {Apache-2.0}
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}
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```bibtex
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@article{hollarek2025opxrd,
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title={opXRD: Open Experimental Powder X-Ray Diffraction Database},
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author={Hollarek, Daniel and Schopmans, Henrik and {\"O}streicher, Jona and Teufel, Jonas and Cao, Bin and Alwen, Adie and Schweidler, Simon and Singh, Mriganka and Kodalle, Tim and Hu, Hanlin and others},
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journal={Advanced Intelligent Discovery},
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pages={202500044},
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year={2025},
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publisher={Wiley Online Library}
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}
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