Metadata-Version: 2.1
Name: mocca2
Version: 0.0.2
Summary: MOCCA2 is an open-source Python project to analyze HPLC-DAD raw data
Author-email: Jan Oboril <jan.oboril@gmail.com>
Project-URL: Homepage, https://github.com/pypa/sampleproject
Project-URL: Issues, https://github.com/pypa/sampleproject/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: numpy >1.20
Requires-Dist: scipy >1.10
Requires-Dist: scikit-learn >1.3
Requires-Dist: pyyaml >6.0
Requires-Dist: pandas >2.1
Requires-Dist: matplotlib >3.6
Requires-Dist: pyarrow >15.0

[![PyPI](https://img.shields.io/pypi/v/mocca2.svg)](https://pypi.org/project/mocca2/)
![pytest](https://github.com/oboril/mocca/actions/workflows/ci.yml/badge.svg)

# Welcome to MOCCA2

This package is based on [MOCCA](https://github.com/HaasCP/mocca) package by [HaasCP](https://github.com/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.
