Core Utils for Metabolomics Data


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Documentation for package ‘MetaboCoreUtils’ version 1.2.0

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addElements Combine chemical formulae
adductNames Retrieve names of supported adducts
adducts Retrieve names of supported adducts
containsElements Check if one formula is contained in another
correctRindex 2-point correction of RIs
countElements Count elements in a chemical formula
indexRtime Convert retention times to retention indices
internalStandardMixNames Get names of internal standard mixes provided by the package
internalStandards Get definitions for internal standards
isotopicSubstitutionMatrix Definitions of isotopic substitutions
isotopologues Identfying isotopologue peaks in MS data
mass2mz Calculate mass-to-charge ratio
mz2mass Calculate neutral mass
pasteElements Create chemical formula from a named vector
standardizeFormula Standardize a chemical formula
subtractElements subtract two chemical formula