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Processing, analysis and modelling Spectroscopic data for Chemistry with Python

Project description

What is SpectroChemPy?

SpectroChemPy 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.

Tests Build Status Total alerts Language grade: Python Maintainability Test Coverage
Packages Anaconda-Server Badge Conda PyPI
Docs DOI Conda
Implementations Conda


Among its major features:

  • A NDDataset object embedding array of data with labeled axes and metadata.
  • A Project manager to work on multiple NDDataset simultaneously.
  • Physical Units for NDDataset.
  • Mathematical operations over NDDataset such addition, multiplication and many more ...
  • Import functions to read data from experiments or modeling programs ...
  • Display functions such as plot for 1D or nD datasets ...
  • Export functions to csv, xls formats ...
  • Preprocessing functions such as baseline correction, automatic subtraction and many more ...
  • Fitting capabilities for single or multiple datasets ...
  • Exploratory analysis such as SVD, PCA, MCR_ALS, EFA ...


 SpectroChemPy is still experimental and under active development. 
 Its current design is subject to major changes, reorganizations, bugs and crashes!!!. 
 Please report any issues to the Issue Tracker.


The online Html documentation is available here: HTML documentation

Examples, tutorials

A zip archive of all the notebooks corresponding to the documentation can be found here


Follow the instructions here: Installation guide

Issue Tracker

You find a problem, want to suggest enhancements or want to look at the current issues and milestones, you can go there: Issue Tracker

Citing SpectroChemPy

When using SpectroChemPy for your own work, you are kindly requested to cite it this way:

Arnaud Travert & Christian Fernandez, (2020) SpectroChemPy (Version 0.1). Zenodo.

Source repository

The source are versioned using the git system and hosted on the GitHub platform:



Project details

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