PyC2MC_viewer

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PyC2MC viewer edition

PyC2MC_viewer 최신버젼 다운로드

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# PyC2MC Viewer
This package, called PyC2MC, has been in development since 2020 and is based on the commonly used Python language with the goal of being
improvable even by people outside of the initial project. Indeed, the goal of this work is to provide a robust data visualization tool producing
numerous plots as well as statistical analysis to ease the sample molecular fingerprinting and the inter-sample comparison. With the aim to deliver
an easy-to-use application, we use a PyQT based graphical user interface designed under QtDesigner. Most of the application’s features are based on
the molecular formulae attributed by either constructor or third-party software.

To use this software, there are two options:

=> Download and start the executable version at the following link : https://doi.org/10.5281/zenodo.12806688
 .

=> Run "Main.py" in the Python interpreter of your choice after having installed the required packages found in "Requirements.txt" or importing "environment.yaml" via Anaconda3.

This software was developped at the Université de Rouen Normandie within the International Complex Matrices Molecular Characterization joint
lab (IC2MC) which collaborators are :

*Analytical department team of Total Research and Technology Gonfreville. (TotalEnergies)

*Mass spectrometry group of COBRA laboratory. (Université de Rouen Normandie)

*Joint Mass Spectrometry Centre, Chair of Analytical Chemistry, University of Rostock, 18059 Rostock, Germany; Interdisciplinary Faculty, Department Life, Light & Matter (LL&M), University of Rostock, 18051 Rostock, Germany

*Analytical chemistry group of IPREM laboratory (Université de Pau et des Pays de l’Adour)

*FT-ICR research group of the National High Magnetic Field Laboratory (NHMFL)

This software is distributed under the GPL licence.

# Bug report :

For bug report, please contact Maxime SUEUR at maxime.sueur05@gmail.com. Furthermore, you can also send an example dataset if relevant, it helps a lot to reproduce and identify the problem.

# Contributors :

-Maxime Sueur: maxime.sueur05@gmail.com

-Julien Maillard: julien.maillard@totalenergies.com

-Oscar Lacroix-Andrivet: oscar.lacroix-andrivet@totalenergies.com

When using the software, please cite : https://doi.org/10.26434/chemrxiv-2022-cmnk3

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