Packageiontree.PDF

Package ‘iontree’ May 15, 2017 Type Package Title Data management and analysis of ion trees from ion-trap mass spectrometry Version 1.22.0 Depends methods, rJava, RSQLite, XML Suggests iontreeData Author Mingshu Cao Maintainer Mingshu Cao mingshu.cao@agresearch.co.nz Description Ion fragmentation provides structural information for metabolite identifica- tion. This package provides utility functions to manage and analyse MS2/MS3 fragmenta- tion data from ion trap mass spectrometry. It was designed for high through- put metabolomics data with many biological samples and a large numer of ion trees col- lected. Tests have been done with data from low-resolution mass spectrometry but could be read- ily extended to precursor ion based fragmentation data from high resoultion mass spectrometry. License GPL-2 biocViews Metabolomics, MassSpectrometry LazyLoad yes NeedsCompilation no R topics documented: iontree-package . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 buildIonTree . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 createDB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 distMS2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 formatSpec . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 getMetaInfo . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5