Processing, analysis and modelling Spectroscopic data for Chemistry with Python

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  • License: CeCILL-B Free Software License Agreement (CECILL-B) (CeCILL-B FREE SOFTWARE LICENSE AGREEMENT)
  • Author: Arnaud Travert
  • Tags spectroscopy , chemistry , data analysis
  • Requires: Python >=3.10
  • Provides-Extra: build , cantera , cp , dev , docs , interactive , test
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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.

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License

CeCILL-B FREE SOFTWARE LICENSE AGREEMENT

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Avatar for atravert from gravatar.com atravert Avatar for fernandezc from gravatar.com fernandezc Avatar for spectrocat from gravatar.com spectrocat

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: CeCILL-B Free Software License Agreement (CECILL-B) (CeCILL-B FREE SOFTWARE LICENSE AGREEMENT)
  • Author: Arnaud Travert
  • Tags spectroscopy , chemistry , data analysis
  • Requires: Python >=3.10
  • Provides-Extra: build , cantera , cp , dev , docs , interactive , test
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0.8.4

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