From a2d9ab071c9c857132e7c5ffedb02f6c5ddb2753 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?S=C3=B6ren=20Wacker?= <3391614+sorenwacker@users.noreply.github.com> Date: Tue, 30 Jul 2024 09:44:10 +0200 Subject: [PATCH] Update README.md --- README.md | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index e0376b0..773d690 100644 --- a/README.md +++ b/README.md @@ -5,13 +5,14 @@ ![PyPI - Downloads](https://img.shields.io/pypi/dm/ms-mint) [![DOI](https://zenodo.org/badge/221567356.svg)](https://zenodo.org/doi/10.5281/zenodo.12733875) -# Wecome to ms-mint - -## A Python library for targeted metabolomics +# ms-mint: A Python library for targeted metabolomics The `ms-mint` library is a tool designed to assist with targeted metabolomics studies, which involves the systematic analysis of small chemical compounds called metabolites that are present in biological samples. These metabolites can provide valuable information about the state of an organism, including indicators of disease or other physiological changes. In order to perform a targeted metabolomics study, researchers typically use liquid chromatography-mass spectrometry (LCMS) to identify and quantify specific metabolites of interest. The `ms-mint` library includes a range of functions for processing LCMS data from targeted metabolomics experiments, and it is particularly well-suited for handling large amounts of data (10,000+ files). To use `ms-mint`, you provide it with a target list of the specific metabolites you want to analyze, as well as the names of the mass spectrometry files containing the data. ms-mint then extracts peak intensities and other relevant information from the data, allowing you to gain insights into the concentrations and profiles of the metabolites in your samples. This information can be used to identify biomarkers, which are indicators of disease or other physiological changes that can be used in the development of diagnostic tests or other medical applications. +## News +Starting with version 1.0.0, we have updated the installation setup to use pyproject.toml. Additionally, each release of the repository will now be assigned a DOI to facilitate citation of the software. + ## Installation pip install ms-mint @@ -25,6 +26,8 @@ MINT has been split into the Python library and the app. This repository contain ## Publications that used ms-mint 1. Brown K, Thomson CA, Wacker S, Drikic M, Groves R, Fan V, et al. [Microbiota alters the metabolome in an age- and sex- dependent manner in mice.](https://pubmed.ncbi.nlm.nih.gov/36906623/) Nat Commun. 2023;14: 1348. +2. Ponce LF, Bishop SL, Wacker S, Groves RA, Lewis IA. [SCALiR: A Web Application for Automating Absolute Quantification of Mass Spectrometry-Based Metabolomics Data. Anal Chem.](https://pubs.acs.org/doi/10.1021/acs.analchem.3c04988) 2024;96: 6566–6574. + --- ## Contributions All contributions, bug reports, code reviews, bug fixes, documentation improvements, enhancements, and ideas are welcome.