Méthode | Description | |
---|---|---|
AssignFragmentPeak ( IList |
Méthode | Description | |
---|---|---|
GetMolecularFormula ( IAtomContainer ac ) : IMolecularFormula | ||
GetMolecularFormulaAsString ( IAtomContainer ac ) : string | ||
GetNeutralChange ( IChemObject ac, int hydrogensAdded ) : string | ||
MatchByMass ( IAtomContainer ac, double peak, double mzabs, double mzppm, double &matchedMass, double &hydrogenPenalty, int &hydrogensAdded ) : bool |
public AssignFragmentPeak ( IList |
||
fragments | IList |
|
peakList | IEnumerable |
|
mzabs | double | |
mzppm | double | |
Résultat | void |