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![PyPI](https://img.shields.io/pypi/v/ms-mint-app?label=pypi%20package)
![PyPI - Downloads](https://img.shields.io/pypi/dm/ms-mint-app)


![](docs/image/MINT-logo.jpg)

# MINT (Metabolomics Integrator)

The Metabolomics Integrator (MINT) is a post-processing tool for liquid chromatography-mass spectrometry (LCMS) based metabolomics.
Metabolomics is the study of all metabolites (small chemical compounds) in a biological sample e.g. from bacteria or a human blood sample.
The metabolites can be used to define biomarkers used in medicine to find treatments for diseases or for the development of diagnostic tests
or for the identification of pathogens such as methicillin resistant _Staphylococcus aureus_ (MRSA).
More information on how to install and run the program can be found in the [Documentation](https://LewisResearchGroup.github.io/ms-mint-app/) or check out the
[Tutorial](https:///LewisResearchGroup.github.io/ms-mint-app/quickstart/) to jump right into it.

## Release notes

### 0.3.2 Milestones
- Be able to share a workspace with another user
- Be able to rename a workspace
- Explanation of expected metadata in app
- explain what can be put as colors
- describe accepted file types in ms_files tab
- target-list add columns database_ref, formula, polarity
- add descriptions to the optimization tab
- total ion chromatogram (TIC)
- full extracted ion chromatogram (EIC or XIC)
- feature to convert intensities to concentrations

### 0.3.1.
- User can select property to extract for dense download
- `ms_file_label` used for dense downloads

### 0.2.3
- update to pandas 2.0
- faster processing of mzML and mzXML files

### 0.2.2
- version strings in GUI
- fixed issues with QC figures

### 0.2.1
- uses ms-mint 0.2.1 with new implementation of `peak_area_top3`
- new quality control tab

### 0.1.9
MINT has been split into the Python library and the app. This repository contains the Python library. The underlying Python library `ms-mint` can be found [here](https://github.com/LewisResearchGroup/ms-mint).

## Screenshot
![Screenshot](docs/gallery/MINT-interface-1.png)

# Quickstart

## Try it

A demo server is available [here](https://mint.resistancedb.org). Be mindful, you share the server with others.

## Installation

### Via pip
The recommended way of installing Mint is to use `pip`:

pip install ms-mint-app
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--debug start MINT server in debug mode
--port PORT Port to use
--host HOST Host binding address
--ncpu NCPU Number of CPUs to use # Not yet implemented

## Windows installer
### Issues
#### ImportError: DiskcacheLongCallbackManager requires extra dependencies which can be installed doing

This error can be fixed by installing `diskcache` and `dask[diskcache]` sequentially:

```
pip install diskcache
pip install "dask[diskcache]"
```

#### ImportError: DiskcacheLongCallbackManager requires extra dependencies which can be installed doing

```
pip install diskcache
pip install "dash[diskcache]"
### Windows installer
The latest Windows installer is available [here](https://github.com/LewisResearchGroup/ms-mint-app/releases/tag/v0.1.7.6).
## From source
###
## Contributions
All contributions, bug reports, code reviews, bug fixes, documentation improvements, enhancements, and ideas are welcome.
Before you modify the code please reach out to us using the [issues](https://github.com/LewisResearchGroup/ms-mint/issues) page.
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