ms-mint 0.0.36

Metabolomics Integrator (Mint)

# MINT (Metabolomics Integrator)


MINT is an app for processing mzML and mzXML mass-spectrometry (MS) files in MS1 mode. Its main function is to sum up intensity values from usually pre-defined windows in m/z and scan-time (also called retention time) space. These windows can be provided in a csv-file or set programmatically. Therefore, a large number of MS-files can be processed in very standardized and reproducible manner.

The tool can be used with a browser based graphical user interface (GUI) implemented as interactive dashboard with [Plotly-Dash](https://plot.ly/dash/). A second (experimental) GUI is available that runs integrated in a Jupyter Notebook. Alternatively, the ms_mint package can be imported as python library to be integrated in any Python script and processing pipeline to automate MS-file processing.

More information on how to install and run the program can be found in the [Documentation](https://soerendip.github.io/ms-mint/).

## Download Latest release For Windows 10 a build is provided [here](https://github.com/soerendip/ms-mint/releases/latest)

Simply, unpack the zip-archive and start Mint.exe. Then navigate to http://localhost:9999 if the browser does not open automatically.

## Installation

### Installation with pip

The program can be installed in a Python 3 (>= 3.7) environment using pip:

pip install ms-mint

Then the GUI can be started with

Mint.py

Then navigate to http://localhost:9999 if the browser does not open automatically.

### From source and creating windows executable

git clone … pip install -e . pyinstaller –one-dir specfilesMint__onedir__.spec

# Developer Notes

python3 setup.py sdist bdist_wheel python3 -m twine upload –repository ms-mint dist/ms*mint-*

### On windows

pyinstaller –onedir –noconfirm specfilesMint__onedir__.spec