Package: Spec2Annot
Title: Annotation of Mass Spectra
Version: 1.3.4
Authors@R: 
    c(
      person(given = "Sylvain", family = "Dechaumet", email = "sylvain.dechaumet@cea.fr", role = c("aut", "cre")),
      person(given = "Etienne", family = "Thevenot", email = "etienne.thevenot@cea.fr", role = c("ctb")),
      person(given = "Eric", family = "Venot", email = "eric.venot@cea.fr", role = c("rev")),
      person(given = "Annelaure", family = "Damont", email = "annelaure.damont@cea.fr", role = c("ctb")),
      person(given = "Anaïs", family = "Legrand", email = "anais.legrand@cea.fr", role = c("ctb"))
    )
Description: Provides a comprehensive suite of functions to efficiently
        annotate mass spectra data. Motivated by the need for rapid and
        accurate chemical identification in high-resolution mass
        spectrometry, it integrates built-in chemical databases and
        high-performance C++ algorithms. Users can perform
        mass-to-charge (m/Z) and retention time searches, determine
        elemental compositions of molecules using heuristic rules,
        including specific isotopes, and annotate MS2 spectra with
        structural metrics using configurable chemistry rules.
License: CeCILL
URL: https://github.com/odisce/Spec2Annot
BugReports: https://github.com/odisce/Spec2Annot/issues
Depends: R (>= 4.0.0)
Encoding: UTF-8
Roxygen: list(markdown = TRUE)
Imports: data.table, magrittr, Rcpp, stringr
Suggests: testthat (>= 3.0.0)
Config/testthat/edition: 3
LazyData: true
LinkingTo: Rcpp
Config/roxygen2/version: 8.0.0
Config/pak/sysreqs: libicu-dev
Repository: https://odisce.r-universe.dev
Date/Publication: 2026-09-15 15:03:52 UTC
RemoteUrl: https://github.com/odisce/spec2annot
RemoteRef: HEAD
RemoteSha: f551933f50c4c1133b437161efc9a597d4b24421
NeedsCompilation: yes
Packaged: 2026-09-27 10:26:01 UTC; root
Author: Sylvain Dechaumet [aut, cre],
  Etienne Thevenot [ctb],
  Eric Venot [rev],
  Annelaure Damont [ctb],
  Anaïs Legrand [ctb]
Maintainer: Sylvain Dechaumet <sylvain.dechaumet@cea.fr>