A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula using an isotopic profile matching approach. The IDSL.UFA pipeline is especially beneficial when MS/MS data is not available. The IDSL.UFA package has functions to process user-defined adduct formulas.
| Version: |
1.5 |
| Depends: |
R (≥ 4.0) |
| Imports: |
IDSL.MXP (≥ 1.4), xml2, RNetCDF, base64enc, IDSL.IPA (≥
2.1), stats, grid, readxl, parallel, doParallel, foreach, GA, ggplot2, gridExtra |
| Published: |
2022-09-09 |
| Author: |
Sadjad Fakouri-Baygi
 [cre, aut],
Dinesh Barupal
[aut] |
| Maintainer: |
Sadjad Fakouri-Baygi <sadjad.fakouri-baygi at mssm.edu> |
| BugReports: |
https://github.com/idslme/idsl.ufa/issues |
| License: |
MIT + file LICENSE |
| URL: |
https://ufa.idsl.me, https://github.com/idslme/idsl.ufa |
| NeedsCompilation: |
no |
| CRAN checks: |
IDSL.UFA results |