Package: IDSL.UFA
Type: Package
Title: United Formula Annotation (UFA) for HRMS Data Processing
Version: 2.0
Authors@R: c(
    person(family = "Fakouri-Baygi", given = "Sadjad", email = "sadjad.fakouri-baygi@mssm.edu",
    role = "aut", comment = c(ORCID = "0000-0002-6864-6911")),
    person(family = "Barupal", given = "Dinesh", email = "dinesh.barupal@mssm.edu", role = c("cre","aut"),
           comment = c(ORCID = "0000-0002-9954-8628")))
Depends: R (>= 4.0)
Imports: IDSL.IPA (>= 2.7), readxl
Suggests: GA
Author: Sadjad Fakouri-Baygi [aut] (<https://orcid.org/0000-0002-6864-6911>),
  Dinesh Barupal [cre, aut] (<https://orcid.org/0000-0002-9954-8628>)
Maintainer: Dinesh Barupal <dinesh.barupal@mssm.edu>
Description: A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow <doi:10.1021/acs.jproteome.2c00120> with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The 'IDSL.UFA' workflow only requires mass spectrometry level 1 (MS1) data for formula annotation. The 'IDSL.UFA' methods was described in <doi:10.1021/acs.analchem.2c00563> .
License: MIT + file LICENSE
URL: https://github.com/idslme/idsl.ufa
BugReports: https://github.com/idslme/idsl.ufa/issues
Encoding: UTF-8
Archs: i386, x64
NeedsCompilation: no
Packaged: 2023-05-18 19:31:04 UTC; sfbaygi
Repository: CRAN
Date/Publication: 2023-05-18 21:20:02 UTC
Built: R 4.6.0; ; 2026-04-26 19:07:01 UTC; unix
