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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.

Among its major features:

  1. A NDDataset object embedding array of data with labeled axes and metadata.

  2. A Project manager to work on multiple NDDataset simultaneously.

  3. Physical Units for NDDataset.

  4. Mathematical operations over NDDataset such addition, multiplication and many more …

  5. Import functions to read data from experiments or modeling programs …

  6. Display functions such as plot for 1D or nD datasets …

  7. Export functions to csv, xls formats …

  8. Preprocessing functions such as baseline correction, automatic subtraction and many more …

  9. Fitting capabilities for single or multiple datasets …

  10. Exploratory analysis such as SVD, PCA, MCR_ALS, EFA

Documentation

the online Html documentation is available here:

Installation

Issue Tracker

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

Road Map

The possible roadmap for this project is here:

Citing SpectroChemPy

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

Arnaud Travert & Christian Fernandez,
SpectroChemPy, a framework for processing, analyzing and modeling
of Spectroscopic data for Chemistry with Python
https://bitbucket.org/spectrocat/spectrochempy, (version 0.1)
Laboratoire Catalyse and Spectrochemistry,
ENSICAEN/Universit\'e de Caen/CNRS, 2019

License

CeCILL-B FREE SOFTWARE LICENSE AGREEMENT <license>

Project details


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spectrochempy-0.1.16.tar.gz (16.6 MB view hashes)

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spectrochempy-0.1.16-py3-none-any.whl (24.6 MB view hashes)

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