Man pages for jasenfinch/mzAnnotation
Tools for Putative Annotation of Electrospray Ionisation High Resolution Mass Spectrometry Data

adductsAdduct formation rules
adductTransformMFMolecular formula adduct transformation
calcAccurateMassCalculate a molecular formula accurate mass
calcMCalculate the molecular mass of an m/z
calcMZCalculate the m/z of a mass
CHOproportionThe proportion of C, H and O atoms in molecular formulas
elementCountCheckElement count checks
elementFrequenciesExtract element frequencies
elementRatioCheckElement ratio checks
elementRatiosCalculate element ratios
elementsElemental information
generateMFMolecular formula generation
goldenRulesGolden rule tests for molecular formulas
goldenRulesScoreMolecular formula plausibility scores
ipMFIonisation product molecular formula generation
isotopeDistributionIsotopic distribution calculator
isotopePossibleMolecular formula isotopic possiblity
isotopesIsotopic rules
lewis_seniorLEWIS and SENIOR checks
ppmErrorCalculate ppm error
ppmRangeCalculate a ppm error range
rdbeCalculate the rings plus double bonds equivalent
reexportsObjects exported from other packages
relationshipCalculatorm/z relationship calculation
suitableElementRangesCalculate suitable elemental frequency ranges
transformationPossibleTransformation check
transformationsTransformation rules
transformMFTransform a molecular formula
jasenfinch/mzAnnotation documentation built on Feb. 25, 2023, 1:27 a.m.