mocca2 0.0.6

MOCCA2 is an open-source Python project to analyze HPLC-DAD raw data

Welcome to MOCCA2

This package is based on MOCCA package by HaasCP.

MOCCA2 provides powerful functions for 2D chromatogram processing. This facilitates data exploration and building automated processing pipelines.

Current features include:

• data import using Chromatogram()
• baseline correction using estimate_baseline() or Chromatogram.correct_baseline()
• peak picking using find_peaks() or Chromatogram.find_peaks()
• deconvolution using deconvolve_fixed(), deconvolve_adaptive() or Chromatogram.deconvolve_peaks()

There is also a rough automated processing pipeline. See the class MoccaDataset.

The docs contain concise examples that demonstrate basic features of MOCCA2.

Documentation

The project is documented using Sphinx. As long as the repository is private, the docs cannot be published on GitHub pages, but the pages are built on the gh-pages branch, or you can build them yourself by running make html in the docs directory.

You can find examples in the examples folder.

Tests

Currently, there is not any automated testing. The tests directory contains only code snippets for manual testing of some of the features. Some of the scripts in tests might not even work.