Package: nontarget
Type: Package
Title: Detecting, combining and filtering isotope, adduct and homologue
        series relations in high-resolution mass spectrometry (HRMS)
        data
Version: 1.3
Date: 2014-07-23
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-2
Depends: enviPat(>= 1.7), nontargetData(>= 1.1), mgcv(>= 1.7-22)
Packaged: 2014-07-23 10:40:11 UTC; uchemadmin
NeedsCompilation: yes
Repository: CRAN
Date/Publication: 2014-07-23 13:15:40
