https://github.com/spectrochempy/spectrochempy

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
https://github.com/spectrochempy/spectrochempy

chemistry data-analysis datasets ftir ftir-data-analysis infrared nmr nmr-data nmr-spectroscopy processing python raman raman-spectra raman-spectroscopy spectroscopy uv-vis

Last synced: 20 days ago
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SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

• Host: GitHub
• URL: https://github.com/spectrochempy/spectrochempy
• Owner: spectrochempy
• License: other
• Created: 2020-05-13T06:20:05.000Z (almost 5 years ago)
• Default Branch: master
• Last Pushed: 2024-04-13T00:58:02.000Z (about 1 year ago)
• Last Synced: 2024-04-14T00:39:42.611Z (about 1 year ago)
• Topics: chemistry, data-analysis, datasets, ftir, ftir-data-analysis, infrared, nmr, nmr-data, nmr-spectroscopy, processing, python, raman, raman-spectra, raman-spectroscopy, spectroscopy, uv-vis
• Language: Python
• Homepage: https://www.spectrochempy.fr
• Size: 480 MB
• Stars: 106
• Watchers: 6
• Forks: 22
• Open Issues: 12
• Metadata Files:
  • Readme: README.md
  • License: LICENSE
  • Citation: CITATION.cff

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SpectroChemPy



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## 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](https://github.com/spectrochempy/spectrochempy/issues).

## Quick Links

* 📚 [Documentation](https://www.spectrochempy.fr)

* 🚀 [Installation Guide](https://www.spectrochempy.fr/gettingstarted/install/index.html)

* 📓 [Example Notebooks](https://www.spectrochempy.fr/gettingstarted/examples/index.html)

* 🐛 [Issue Tracker](https://github.com/spectrochempy/spectrochempy/issues)

* 📝 [How to Cite](https://www.spectrochempy.fr/credits/citing.html)

* 💻 [Source Code](https://github.com/spectrochempy/spectrochempy)

## License

[CeCILL-B FREE SOFTWARE LICENSE AGREEMENT](https://cecill.info/licences/Licence_CeCILL-B_V1-en.html)