xrdPhase is a web-based application designed for automated phase identification from X-ray diffraction (XRD) data. It provides researchers and material scientists with a user-friendly interface to upload XRD files and receive potential phase identifications, aiding in the rapid characterization of crystalline materials.
Live App: https://xrdphase.onrender.com
GitHub Repository: https://github.com/raymsm/xrdPhase
- 📁 Upload
.xyXRD data files (2θ vs intensity). - 🧠 Automated backend processing and phase suggestion.
- 📊 Real-time visualization of diffraction patterns.
- 🌐 Deployed online with no installation required.
- Frontend: HTML5, CSS3, JavaScript
- Backend: Python (Flask)
- Data Processing: NumPy, SciPy, Pandas
- Visualization: Plotly.js
- Deployment: Render.com
To run the app locally:
- Python 3.8+
- pip
git clone https://github.com/raymsm/xrdPhase.git
cd xrdPhase
pip install -r requirements.txt
python app.py
Navigate to http://localhost:5000 in your browser.
📂 Usage
Open the web app at https://xrdphase.onrender.com
Upload your XRD .xy file (2-column format: angle, intensity).
Click "Analyze" to begin phase identification.
View interactive plots and matching database results.
🧪 Sample Data Format
python-repl
Copy
Edit
20.0 123
20.1 135
20.2 140
...
Ensure your data file has:
No headers
Two tab- or space-separated columns
🤝 Contributing
Contributions are welcome! Here's how:
Fork the repository
Create a new branch (git checkout -b feature-name)
Make your changes
Commit (git commit -am 'Add new feature')
Push to the branch (git push origin feature-name)
Create a Pull Request
📄 License
This project is licensed under the MIT License. See LICENSE for details.
📬 Contact
Maintainer: raymsm
Project Link: https://github.com/raymsm/xrdPhase
For more information or support, open an issue on the GitHub repository.