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
NeedsCompilation: no
Packaged: 2026-04-10 11:20:45 UTC; jlisec
Author: Jan Lisec [aut, cre] (ORCID: <https://orcid.org/0000-0003-1220-2286>),
  Jaeger Carsten [aut]
Repository: CRAN
Date/Publication: 2026-04-10 12:10:02 UTC
Built: R 4.5.2; ; 2026-04-10 14:44:08 UTC; unix
