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

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-Baygi ORCID 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 LICENSE
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:

Please use the canonical form https://CRAN.R-project.org/package=IDSL.UFA to link to this page.

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.