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> .">

IDSL.UFA: United Formula Annotation (UFA) for HRMS Data Processing (original) (raw)

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> .

Version: 2.0
Depends: R (≥ 4.0)
Imports: IDSL.IPA (≥ 2.7), readxl
Suggests: GA
Published: 2023-05-18
DOI: 10.32614/CRAN.package.IDSL.UFA
Author: Sadjad Fakouri-BaygiORCID iD [aut], Dinesh Barupal ORCID iD [cre, aut]
Maintainer: Dinesh Barupal <dinesh.barupal at mssm.edu>
BugReports: https://github.com/idslme/idsl.ufa/issues
License: MIT + file
URL: https://github.com/idslme/idsl.ufa
NeedsCompilation: no
Citation: IDSL.UFA citation info
CRAN checks: IDSL.UFA results

Documentation:

Reference manual: IDSL.UFA.pdf

Downloads:

Package source: IDSL.UFA_2.0.tar.gz
Windows binaries: r-devel: IDSL.UFA_2.0.zip, r-release: IDSL.UFA_2.0.zip, r-oldrel: IDSL.UFA_2.0.zip
macOS binaries: r-release (arm64): IDSL.UFA_2.0.tgz, r-oldrel (arm64): IDSL.UFA_2.0.tgz, r-release (x86_64): IDSL.UFA_2.0.tgz, r-oldrel (x86_64): IDSL.UFA_2.0.tgz
Old sources: IDSL.UFA archive

Reverse dependencies:

Reverse imports: IDSL.UFAx

Linking:

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