Man pages for rformassspectrometry/MetaboCoreUtils
Core Utils for Metabolomics Data
| addElements | Combine chemical formulae |
| adductFormula | Calculate a table of adduct (ionic) formulas |
| adductNames | Retrieve names of supported adducts |
| calculateKendrickMass | 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 | 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... |
| multiplyElements | Multiply chemical formulas by a scalar |
| mz2mass | Calculate neutral mass |
| pasteElements | Create chemical formula from a named vector |
| quality_assessment | Basic quality assessment functions for metabolomics |
| standardizeFormula | Standardize a chemical formula |
| subtractElements | subtract two chemical formula |
