Processing, analysis and modelling Spectroscopic data for Chemistry with Python
Project description
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
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