SpectroChemPy

What is SpectroChemPy?

SpectroChemPy (SCPy) is a framework for processing, analyzing and modeling Spectroscopic data for Chemistry with Python. It is a cross-platform software, running on Linux, Windows or OS X.

Key Features

• Core Data Structure: NDDataset object with labeled axes and metadata
• Project Management: Work with multiple NDDatasets simultaneously
• Data Processing:
  • Physical Units support
  • Mathematical operations (addition, multiplication, etc.)
  • Baseline correction
  • Automatic subtraction
• Analysis Tools:
  • SVD, PCA, MCR_ALS, EFA, PLS, ...
  • Fitting for single/multiple datasets
• I/O Support:
  • Import from various experiment formats
  • Export to CSV, JCAMP, MATLAB ...
  • Advanced plotting capabilities

⚠️ WARNING: SpectroChemPy is under active development. The current design may undergo major changes. Please report any issues to our Issue Tracker.

Quick Links

• 📚 Documentation
• 🚀 Installation Guide
• 📓 Example Notebooks
• 🐛 Issue Tracker
• 📝 How to Cite
• 💻 Source Code

License

CeCILL-B FREE SOFTWARE LICENSE AGREEMENT