Metadata-Version: 2.4
Name: chromaquant
Version: 0.5.0
Summary: Analytical platform for gas chromatography
Project-URL: Repository, https://github.com/JnliaH/ChromaQuant
Author: Julia Hancock
License: 
        ChromaQuant – A quantification software for complex gas chromatographic data
        
        Copyright (c) 2026, by Julia Hancock
                      Affiliation: Dr. Julie Elaine Rorrer
        	      URL: https://www.rorrerlab.com/
        
        License: BSD 3-Clause License
        
        Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
        
        1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
        
        2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
        
        3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
        
        THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS “AS IS” AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
License-File: LICENSE.txt
License-File: LICENSES_bundled.txt
Keywords: Analysis,Analytical Chemistry,Chromatography,Complex Hydrocarbon Analysis,Mass Spectrometry
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Environment :: MacOS X
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.14
Requires-Dist: chemformula~=1.5.1
Requires-Dist: molmass~=2025.12.12
Requires-Dist: openpyxl~=3.1.5
Requires-Dist: pandas~=2.3.3
Requires-Dist: pre-commit~=4.5.1
Requires-Dist: pytest~=9.0.2
Requires-Dist: xlsxwriter~=3.2.9
Description-Content-Type: text/markdown

<h1>ChromaQuant</h1>
<i>A solution for automated gas chromatographic peak assignment and quantification</i>

<h4>Introduction</h4>
<img style="float: right;" align="right" width="256" alt="ChromaQuant Logo" src="https://github.com/JnliaH/ChromaQuant/blob/rebrand/images/ChromaQuantIcon.png">
ChromaQuant is an open-source toolkit designed to enable users to rapidly and precisely analyze chromatographic data. It offers tools for matching chromatographic signals to each other or to other tabulated data, writing formulas for dynamic Excel reporting, and peforming simple operations on tabulated data to produce properties like molecular weight.

The development of ChromaQuant is associated with the <a href="https://www.rorrerlab.com/">Rorrer Lab</a> at the University of Washington Department of Chemical engineering.

<h4>Installation</h4>
Install ChromaQuant by running the following command in the terminal/command prompt:<br>


> pip install chromaquant

<h4>Usage</h4>

ChromaQuant is currently under major renovations. Please tune back in for in-detail documentation on usage with examples!
