Screening a HRMS data set for peaks related by (1) isotope patterns, (2) different adducts of the same molecule and/or (3) homologue series. The resulting isotopic pattern and adduct groups can then be combined to so-called components, with homologue series information attached. Also allows plotting and filtering HRMS data for mass defects, frequent m/z distances and components vs. non-components.
| Version: | 1.9 |
| Depends: | enviPat (≥ 2.0), nontargetData (≥ 1.1), mgcv (≥ 1.7-22) |
| Published: | 2016-09-27 |
| Author: | Martin Loos |
| Maintainer: | Martin Loos <mloos at looscomputing.ch> |
| License: | GPL-3 |
| NeedsCompilation: | yes |
| Materials: | NEWS |
| CRAN checks: | nontarget results |
| Reference manual: | nontarget.pdf |
| Package source: | nontarget_1.9.tar.gz |
| Windows binaries: | r-devel: nontarget_1.9.zip, r-release: nontarget_1.9.zip, r-oldrel: nontarget_1.9.zip |
| macOS binaries: | r-release: nontarget_1.9.tgz, r-oldrel: nontarget_1.9.tgz |
| Old sources: | nontarget archive |
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