🔬 EasyXASCalc

A user-friendly tool to calculate X-ray attenuation for optimizing sample thickness in XAS measurements

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✨ Features

• 🎯 Intuitive Interface — Easy-to-use web app and Jupyter notebook GUI
• 📊 Interactive Plots — Visualize absorption, attenuation length, and more
• 🧪 Chemical Formula Support — Enter any compound formula for calculations
• ⚡ Explicit Calculation — Calculate a sample snapshot and see when edited inputs make results stale
• 🎨 Beautiful Design — Modern, responsive interface with dark mode support

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🚀 Try It Now

🌐 Web Application (Recommended)

👉 Launch EasyXASCalc

No installation required! Just open the link and start calculating.

⏳ Note: The free server may take 30-60 seconds to wake up if it has been idle.

📓 Jupyter Notebook

For more flexibility and scripting capabilities:

Platform	Link
🔗 Binder
🔗 Google Colab

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📸 Screenshots

🖥️ Web Application

Compact Dr.XAS workbench with light/dark themes and interactive plots

📓 Jupyter Notebook GUI

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🛠️ Built With

• 🐍 Backend: Python + Flask + xraylib
• ⚛️ Frontend: React + Vite
• 📊 Plotting: Plotly.js
• 🎨 Styling: Dr.XAS semantic tokens, Figtree and Magma accents

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📖 Local Development

Prerequisites

• Python 3.9+
• Node.js 22+

Quick Start

# Clone the repository
git clone https://github.com/Dr-XAS/XASprep.git
cd XASprep

# Install backend dependencies
cd backend
pip install -r requirements.txt

# Install frontend dependencies
cd ../frontend
npm install

# Run development servers
npm run dev  # Frontend at http://localhost:5173
# In another terminal:
cd backend && python app.py  # Backend at http://localhost:5002

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👩‍🔬 Author

Juanjuan Huang
📧 juanjuan.huang@anl.gov

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📄 License

This project is open source and available for scientific research and education.

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⭐ If you find this tool useful, please consider giving it a star! ⭐

Made with ❤️ for the X-ray spectroscopy community