Package: nontarget
Type: Package
Title: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data
Version: 1.9
Date: 2016-09-27
Author: Martin Loos
Maintainer: Martin Loos <mloos@looscomputing.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(>= 2.0), nontargetData(>= 1.1), mgcv(>= 1.7-22)
NeedsCompilation: yes
Packaged: 2016-09-27 11:28:39 UTC; uchemadmin
Repository: CRAN
Date/Publication: 2016-09-27 16:39:53
Built: R 4.1.0; x86_64-w64-mingw32; 2020-08-03 09:43:10 UTC; windows
Archs: i386, x64
