Bioconductor version: Release (3.6)
The outcome of XCMS data processing strongly depends on the parameter settings. IPO (`Isotopologue Parameter Optimization`) is a parameter optimization tool that is applicable for different kinds of samples and liquid chromatography coupled to high resolution mass spectrometry devices, fast and free of labeling steps. IPO uses natural, stable 13C isotopes to calculate a peak picking score. Retention time correction is optimized by minimizing the relative retention time differences within features and grouping parameters are optimized by maximizing the number of features showing exactly one peak from each injection of a pooled sample. The different parameter settings are achieved by design of experiment. The resulting scores are evaluated using response surface models.
Author: Gunnar Libiseller <Gunnar.Libiseller at joanneum.at>, Christoph Magnes <christoph.magnes at joanneum.at>, Thomas Riebenbauer <Thomas.Riebenbauer at joanneum.at>
Maintainer: Thomas Riebenbauer <Thomas.Riebenbauer at joanneum.at>
Citation (from within R,
enter citation("IPO")
):
To install this package, start R and enter:
## try http:// if https:// URLs are not supported source("https://bioconductor.org/biocLite.R") biocLite("IPO")
HTML | R Script | XCMS Parameter Optimization with IPO |
Reference Manual | ||
Text | NEWS | |
Text | LICENSE |
biocViews | MassSpectrometry, Metabolomics, Software |
Version | 1.4.1 |
In Bioconductor since | BioC 3.4 (R-3.3) (1.5 years) |
License | GPL (>= 2) + file LICENSE |
Depends | xcms(>= 1.50.0), rsm, CAMERA, grDevices, graphics, stats, utils |
Imports | BiocParallel |
LinkingTo | |
Suggests | RUnit, BiocGenerics, msdata, mtbls2, faahKO, knitr |
SystemRequirements | |
Enhances | parallel |
URL | https://github.com/rietho/IPO |
BugReports | https://github.com/rietho/IPO/issues/new |
Depends On Me | |
Imports Me | |
Suggests Me | |
Build Report |
Follow Installation instructions to use this package in your R session.
Source Package | IPO_1.4.1.tar.gz |
Windows Binary | IPO_1.4.1.zip |
Mac OS X 10.11 (El Capitan) | IPO_1.4.1.tgz |
Source Repository | git clone https://git.bioconductor.org/packages/IPO |
Package Short Url | http://bioconductor.org/packages/IPO/ |
Package Downloads Report | Download Stats |
Old Source Packages for BioC 3.6 | Source Archive |
Documentation »
Bioconductor
R / CRAN packages and documentation
Support »
Please read the posting guide. Post questions about Bioconductor to one of the following locations: