Skip to main content

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

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

CeCILL-B FREE SOFTWARE LICENSE AGREEMENT

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for spectrochempy, version 0.1.22
Filename, size File type Python version Upload date Hashes
Filename, size spectrochempy-0.1.22-py3-none-any.whl (11.1 MB) File type Wheel Python version py3 Upload date Hashes View
Filename, size spectrochempy-0.1.22.tar.gz (14.0 MB) File type Source Python version None Upload date Hashes View

Supported by

Pingdom Pingdom Monitoring Google Google Object Storage and Download Analytics Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page