Method | Description | |
---|---|---|
PeakMolPair ( IAtomContainer ac, |
public PeakMolPair ( IAtomContainer ac, |
||
ac | IAtomContainer | |
peak | ||
matchedMass | double | |
molecularFormula | string | |
hydrogenPenalty | double | |
bondDissociationEnergy | double | |
neutralChange | string | |
return | MetFragNET.Spectra |