Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data

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Documentation for package ‘cliqueMS’ version 0.3.1

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cliqueMS-package 'cliqueMS' annotates isotopes and adducts in m/z data
anClique 'anClique-class' for annotating isotopes and adducts
anClique-class 'anClique-class' for annotating isotopes and adducts
cliqueMS 'cliqueMS' annotates isotopes and adducts in m/z data
computeCliques Computes clique groups from a similarity network
createanClique 'createanClique' generic function to create an object of class 'anClique'.
createanClique.XCMSnExp 'createanClique.XCMSnExp' produces an object of class 'anClique'.
createanClique.xcmsSet 'createanClique.xcmsSet' produces an object of class 'anClique'.
createNetwork Generic function to create a similarity network from processed m/z data
createNetwork.XCMSnExp Function to create a similarity network from 'XCMSnExp' processed m/z data
createNetwork.xcmsSet Function to create a similarity network from 'xcmsSet' processed m/z data
ex.cliqueGroups Example m/z processed data
getAnnotation Annotate adducts and fragments
getCliques Compute clique groups from processed m/z data
getIsotopes Annotate isotopes
negative.adinfo Default list of negative charged adducts
positive.adinfo Default list of positive charged adducts