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.
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Features
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 ...
Warning:
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.
Documentation
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
Installation
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. http://doi.org/10.5281/zenodo.3823841
Source repository
The source are versioned using the git system and hosted on the GitHub platform: https://github.com/spectrochempy/spectrochempy
License
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