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
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
NeedsCompilation: yes
Packaged: 2026-09-15 15:03:47 UTC; SD265344
Author: Sylvain Dechaumet [aut, cre],
  Etienne Thevenot [ctb],
  Eric Venot [rev],
  Annelaure Damont [ctb],
  Anaïs Legrand [ctb]
Maintainer: Sylvain Dechaumet <sylvain.dechaumet@cea.fr>
Repository: CRAN
Date/Publication: 2026-09-26 16:40:25 UTC
