A pipeline to annotate chromatography peaks from the IDSL.IPA pipeline with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The IDSL.UFA pipeline only requires mass spectrometry level 1 (MS1) data for formula annotation.
Version: | 1.8 |
Depends: | R (≥ 4.0) |
Imports: | IDSL.IPA (≥ 2.6), doParallel, foreach, readxl |
Suggests: | GA |
Published: | 2023-01-08 |
Author: | Sadjad Fakouri-Baygi
|
Maintainer: | Sadjad Fakouri-Baygi <sadjad.fakouri-baygi 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 |
Reference manual: | IDSL.UFA.pdf |
Package source: | IDSL.UFA_1.8.tar.gz |
Windows binaries: | r-devel: IDSL.UFA_1.8.zip, r-release: IDSL.UFA_1.8.zip, r-oldrel: IDSL.UFA_1.8.zip |
macOS binaries: | r-release (arm64): IDSL.UFA_1.8.tgz, r-oldrel (arm64): IDSL.UFA_1.8.tgz, r-release (x86_64): IDSL.UFA_1.8.tgz, r-oldrel (x86_64): IDSL.UFA_1.8.tgz |
Old sources: | IDSL.UFA archive |
Reverse imports: | IDSL.UFAx |
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