Package: nontarget
Type: Package
Title: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data
Version: 1.8
Date: 2016-03-14
Author: Martin Loos
Maintainer: Martin Loos <Martin.Loos@eawag.ch>
Description: 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.
License: GPL-3
Depends: enviPat (>= 1.9), nontargetData (>= 1.1), mgcv (>= 1.7-22)
NeedsCompilation: yes
Packaged: 2016-03-14 12:31:10 UTC; uchemadmin
Repository: CRAN
Date/Publication: 2016-03-14 15:23:51
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