nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data
Version 1.9

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.

Browse man pages Browse package API and functions Browse package files

AuthorMartin Loos
Date of publication2016-09-27 16:39:53
MaintainerMartin Loos <mloos@looscomputing.ch>
LicenseGPL-3
Version1.9
Package repositoryView on CRAN
InstallationInstall the latest version of this package by entering the following in R:
install.packages("nontarget")

Man pages

adduct.search: Detecting and grouping adduct m/z relations among peaks in a...
combine: Combining isotope, adduct and homologue series relations in...
deter.iso: Generating list of type iso from filtered m/z differences.
homol.search: Homologue series extraction from LC-MS data.
make.isos: Deriving list of m/z isotope differences for input into...
ms.filter: Flexible interactive filtering of components and/or peaks via...
nontarget-package: Detecting Isotope, Adduct and Homologue Relations in LC-MS...
pattern.search: Detecting and grouping isotope m/z relations among peaks in a...
pattern.search2: Detecting and grouping isotope m/z relations among LC-HRMS...
peaklist: HRMS peak list
plotadduct: Plot of frequencies and peak intensities of different adducts
plotall: RT vs. m/z scatterplot marking isotope pattern and adduct...
plotcomp: Plot and print isotope and adduct relations among peaks of a...
plotdefect: Mass defect vs. m/z scatterplot of HRMS peaks, with specific...
plotdiff: Filtering important m/z differences among peaks of a HRMS...
plotgroup: Barplot of m/z isotope (and optional adduct) relations within...
plothomol: Marks homologue series peaks in a scatterplot of retention...
plotisotopes: Plot of isotope counts over isotope pattern groups or...
rm.sat: Removal of satellite peaks from FT-MS peak lists

Functions

adduct.search Man page Source code
combine Man page Source code
deter.iso Man page Source code
homol.search Man page Source code
make.isos Man page Source code
ms.filter Man page Source code
nontarget Man page
nontarget-package Man page
onAttach Source code
pattern.search Man page Source code
pattern.search2 Man page Source code
peaklist Man page
plotadduct Man page Source code
plotall Man page Source code
plotcomp Man page Source code
plotdefect Man page Source code
plotdiff Man page Source code
plotgroup Man page Source code
plothomol Man page Source code
plotisotopes Man page Source code
rm.sat Man page Source code

Files

src
src/quantization.cpp
src/homologues.cpp
src/massCpp.cpp
src/searchTree.cpp
NAMESPACE
NEWS
data
data/peaklist.rda
R
R/pattern.search.R
R/combine.R
R/deter.iso.R
R/plotall.R
R/rm.sat.R
R/plotcomp.R
R/plotisotopes.R
R/plothomol.R
R/pattern.search2.R
R/plotadduct.R
R/ms.filter.R
R/adduct.search.R
R/plotgroup.R
R/plotdiff.R
R/nontarget.R
R/make.isos.R
R/plotdefect.R
R/homol.search.R
MD5
DESCRIPTION
man
man/ms.filter.Rd
man/plothomol.Rd
man/homol.search.Rd
man/combine.Rd
man/plotdefect.Rd
man/rm.sat.Rd
man/plotisotopes.Rd
man/plotcomp.Rd
man/plotgroup.Rd
man/plotdiff.Rd
man/nontarget-package.Rd
man/plotadduct.Rd
man/adduct.search.Rd
man/make.isos.Rd
man/deter.iso.Rd
man/peaklist.Rd
man/plotall.Rd
man/pattern.search.Rd
man/pattern.search2.Rd
nontarget documentation built on May 19, 2017, 1:30 p.m.