rickhelmus/patRoon: Workflows for Mass-Spectrometry Based Non-Target Analysis

Provides an easy-to-use interface to a mass spectrometry based non-target analysis workflow. Various (open-source) tools are combined which provide algorithms for extraction and grouping of features, extraction of MS and MS/MS data, automatic formula and compound annotation and grouping related features to components. In addition, various tools are provided for e.g. data preparation and cleanup, plotting results and automatic reporting.

Getting started

Package details

Maintainer
LicenseGPL-3
Version2.3.2
URL https://github.com/rickhelmus/patRoon
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("remotes")
remotes::install_github("rickhelmus/patRoon")
rickhelmus/patRoon documentation built on Sept. 17, 2024, 4:32 p.m.