Metadata-Version: 2.1
Name: nmrquant
Version: 1.2.1
Summary: Metabolite concentration quantification from 1D proton nmr integrated data
Home-page: https://github.com/LoloPopoPy/RMNQuant
Author: Loïc Le Grégam
Author-email: legregam@insa-toulouse.fr
License: UNKNOWN
Project-URL: Bug Reports, https://github.com/llegregam/NmrQuant/issues
Project-URL: Source, https://github.com/llegregam/NmrQuant/
Keywords: NMR,biochemistry,quantification,metabolomics
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.6, <4
Description-Content-Type: text/x-rst
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: matplotlib
Requires-Dist: colorcet
Requires-Dist: seaborn
Requires-Dist: ipyfilechooser
Requires-Dist: ipywidgets
Requires-Dist: openpyxl
Requires-Dist: natsort
Requires-Dist: xlrd
Requires-Dist: ordered-set
Provides-Extra: dev
Requires-Dist: Sphinx ; extra == 'dev'
Requires-Dist: sphinx-argparse ; extra == 'dev'
Requires-Dist: autodoc ; extra == 'dev'
Requires-Dist: sphinx-rtd-theme ; extra == 'dev'
Requires-Dist: sdist ; extra == 'dev'
Requires-Dist: wheel ; extra == 'dev'
Requires-Dist: twine ; extra == 'dev'

NMRQuant
========

**NMRQuant is a software for the quantification of metabolites from 1D Proton NMR experiments**.
It takes as input integrated areas from spectra and proton counts from a database from excel and
csv files. It can be used with either internal or external calibration, using a standard. It outputs
an excel file containing the calculated concentrations, and svg files containing plots that help
with the visualisation and interpretation of the data.

It is one of the routine tools used on the `MetaToul platform <https://www6.toulouse.inrae.fr/metatoul>`_.

The code is open-source, and available on Github under a GPLv3 license.

The documentation relative to NMRQuant's usage can be found on `ReadTheDocs <https://nmrquant.readthedocs.io/>`_.

It can be used from a command line interface or through an interactive jupyter notebook GUI. The notebook can be
downloaded from the `GitHub page <https://github.com/llegregam/NmrQuant>`_.

.. rubric:: Key Features

* **Calculation of metabolite concentrations from 1D H+ NMR integrated data**
* **Creation of figures (lineplots and barplots) that help with interpretation**


