Man pages for jasenfinch/mzAnnotation
Tools for Putative Annotation of Electrospray Ionisation High Resolution Mass Spectrometry Data
| adducts | Adduct formation rules |
| adductTransformMF | Molecular formula adduct transformation |
| calcAccurateMass | Calculate a molecular formula accurate mass |
| calcM | Calculate the molecular mass of an m/z |
| calcMZ | Calculate the m/z of a mass |
| CHOproportion | The proportion of C, H and O atoms in molecular formulas |
| elementCountCheck | Element count checks |
| elementFrequencies | Extract element frequencies |
| elementRatioCheck | Element ratio checks |
| elementRatios | Calculate element ratios |
| elements | Elemental information |
| generateMF | Molecular formula generation |
| goldenRules | Golden rule tests for molecular formulas |
| goldenRulesScore | Molecular formula plausibility scores |
| ipMF | Ionisation product molecular formula generation |
| isotopeDistribution | Isotopic distribution calculator |
| isotopePossible | Molecular formula isotopic possiblity |
| isotopes | Isotopic rules |
| lewis_senior | LEWIS and SENIOR checks |
| ppmError | Calculate ppm error |
| ppmRange | Calculate a ppm error range |
| rdbe | Calculate the rings plus double bonds equivalent |
| reexports | Objects exported from other packages |
| relationshipCalculator | m/z relationship calculation |
| suitableElementRanges | Calculate suitable elemental frequency ranges |
| transformationPossible | Transformation check |
| transformations | Transformation rules |
| transformMF | Transform a molecular formula |
