Package: nontarget
Type: Package
Title: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data
Version: 2.21
Date: 2026-01-12
Authors@R: person(given = "Martin", family = "Loos", role = c("aut", "cre"), email = "mloos@envibee.ch")
Description: Screening a HRMS data set for peaks related by (1) isotope
        patterns, (2) different adducts of the same molecule and/or (3)
        homologue series. The resulting isotopic pattern and adduct
        groups can then be combined to so-called components, with
        homologue series information attached. Also allows plotting and
        filtering HRMS data for mass defects, frequent m/z distances
        and components vs. non-components.
License: GPL-3
Depends: enviPat(>= 2.0), nontargetData(>= 1.1), mgcv(>= 1.7-22)
Imports: ggplot2, tidyverse, tibble, plotly, tidyr
URL: http://www.envihomolog.eawag.ch/
Config/pak/sysreqs: cmake libfontconfig1-dev libfreetype6-dev
        libfribidi-dev make libharfbuzz-dev libicu-dev libjpeg-dev
        libpng-dev libtiff-dev libuv1-dev libwebp-dev libxml2-dev
        libssl-dev libx11-dev zlib1g-dev
Repository: https://rickhelmus.r-universe.dev
Date/Publication: 2026-01-12 12:08:08 UTC
RemoteUrl: https://github.com/blosloos/nontarget
RemoteRef: HEAD
RemoteSha: ce59a111029cbf23e28090071208928b6f31eb62
NeedsCompilation: yes
Packaged: 2026-06-24 02:57:49 UTC; root
Author: Martin Loos [aut, cre]
Maintainer: Martin Loos <mloos@envibee.ch>