Function reference • MetaboCoreUtils

All functions

addElements(): Combine chemical formulae

adductFormula(): Calculate a table of adduct (ionic) formulas

adductNames() adducts(): Retrieve names of supported adducts

calculateKm() calculateKmd() calculateRkmd() isRkmd(): Kendrick mass defects

calculateMass(): Calculate exact mass

containsElements(): Check if one formula is contained in another

convertMtime(): Convert migration times to effective mobility

correctRindex(): 2-point correction of RIs

countElements(): Count elements in a chemical formula

fit_lm() adjust_lm(): Linear model-based normalization of abundance matrices

formula2mz(): Calculate mass-to-charge ratio from a 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

mclosest(): Extract closest values in a pairwise manner between two matrices

multiplyElements(): Multiply chemical formulas by a scalar

mz2mass(): Calculate neutral mass

pasteElements(): Create chemical formula from a named vector

rsd() rowRsd() rowDratio() percentMissing() rowPercentMissing() rowBlank(): Basic quality assessment functions for metabolomics

standardizeFormula(): Standardize a chemical formula

subtractElements(): subtract two chemical formula