Last data update: 2014.03.03
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nontarget
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
Install log
* installing to library '/home/ddbj/local/lib64/R/library'
* installing *source* package 'nontarget' ...
** package 'nontarget' successfully unpacked and MD5 sums checked
** libs
g++ -I/home/ddbj/local/lib64/R/include -DNDEBUG -I/usr/local/include -fpic -g -O2 -c homologues.cpp -o homologues.o
g++ -I/home/ddbj/local/lib64/R/include -DNDEBUG -I/usr/local/include -fpic -g -O2 -c massCpp.cpp -o massCpp.o
g++ -I/home/ddbj/local/lib64/R/include -DNDEBUG -I/usr/local/include -fpic -g -O2 -c quantization.cpp -o quantization.o
g++ -I/home/ddbj/local/lib64/R/include -DNDEBUG -I/usr/local/include -fpic -g -O2 -c searchTree.cpp -o searchTree.o
g++ -shared -L/home/ddbj/local/lib64/R/lib -L/usr/local/lib64 -o nontarget.so homologues.o massCpp.o quantization.o searchTree.o -L/home/ddbj/local/lib64/R/lib -lR
installing to /home/ddbj/local/lib64/R/library/nontarget/libs
** R
** data
** preparing package for lazy loading
** help
*** installing help indices
converting help for package 'nontarget'
finding HTML links ... done
adduct.search html
combine html
deter.iso html
homol.search html
make.isos html
ms.filter html
nontarget-package html
pattern.search html
pattern.search2 html
peaklist html
plotadduct html
plotall html
plotcomp html
plotdefect html
plotdiff html
plotgroup html
plothomol html
plotisotopes html
rm.sat html
** building package indices
** testing if installed package can be loaded
* DONE (nontarget)
Making 'packages.html' ... done
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