Type: Package
Package: InterpretMSSpectrum
Title: Interpreting High Resolution Mass Spectra
Version: 1.5.3
Date: 2026-04-10
Authors@R: c(
    person("Jan", "Lisec", , "jan.lisec@bam.de", role = c("aut", "cre"),
           comment = c(ORCID = "0000-0003-1220-2286")),
    person("Jaeger", "Carsten", , "carsten.jaeger@bam.de", role = "aut")
  )
Maintainer: Jan Lisec <jan.lisec@bam.de>
Description: High resolution mass spectrometry yields often large data
        sets of spectra from compounds which are not present in
        available libraries. These spectra need to be annotated and
        interpreted. 'InterpretMSSpectrum' provides a set of functions
        to perform such tasks for Electrospray-Ionization and
        Atmospheric-Pressure-Chemical-Ionization derived data in
        positive and negative ionization mode.
License: GPL-3
URL: https://github.com/janlisec/InterpretMSSpectrum
Depends: R (>= 2.10.0)
Imports: enviPat, plyr, rcdk
Suggests: DBI, doParallel, foreach, parallel, Rdisop, RSQLite, testthat
        (>= 3.0.0), vdiffr
biocViews:
Config/testthat/edition: 3
Encoding: UTF-8
Language: en-US
LazyData: true
RoxygenNote: 7.3.3
Config/pak/sysreqs: make default-jdk libpng-dev
Repository: https://janlisec.r-universe.dev
Date/Publication: 2026-04-10 15:41:03 UTC
RemoteUrl: https://github.com/janlisec/interpretmsspectrum
RemoteRef: HEAD
RemoteSha: f062991922c9cee57f4279122229b2e3e79a05b4
NeedsCompilation: no
Packaged: 2026-06-09 06:31:21 UTC; root
Author: Jan Lisec [aut, cre] (ORCID: <https://orcid.org/0000-0003-1220-2286>),
  Jaeger Carsten [aut]