DESCRIPTION

Package: IPO
Type: Package
Title: Automated Optimization of XCMS Data Processing parameters
Version: 1.25.0
Date: 2022-08-14
Author: Gunnar Libiseller <Gunnar.Libiseller@joanneum.at>,
        Christoph Magnes <christoph.magnes@joanneum.at>,
        Thomas Lieb <thomas.r.lieb@gmail.com>
Maintainer: Thomas Lieb <thomas.r.lieb@gmail.com>
Depends:
  xcms (>= 1.50.0), 
  rsm, 
  CAMERA, 
  grDevices, 
  graphics, 
  stats, 
  utils
Imports: BiocParallel
Suggests: RUnit, BiocGenerics, msdata, mtbls2, faahKO, knitr
Enhances: parallel
VignetteBuilder: knitr
Description: 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.
License: GPL (>= 2) + file LICENSE
URL: https://github.com/rietho/IPO
BugReports: https://github.com/rietho/IPO/issues/new
biocViews: ImmunoOncology, Metabolomics, MassSpectrometry
RoxygenNote: 6.0.1
NeedsCompilation: no