C# Class MetFragNET.Results.PeakMolPair

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Public Methods

Method Description
PeakMolPair ( IAtomContainer ac, Peak peak, double matchedMass, string molecularFormula, double hydrogenPenalty, double bondDissociationEnergy, string neutralChange ) : MetFragNET.Spectra

Method Details

PeakMolPair() public method

public PeakMolPair ( IAtomContainer ac, Peak peak, double matchedMass, string molecularFormula, double hydrogenPenalty, double bondDissociationEnergy, string neutralChange ) : MetFragNET.Spectra
ac IAtomContainer
peak MetFragNET.Spectra.Peak
matchedMass double
molecularFormula string
hydrogenPenalty double
bondDissociationEnergy double
neutralChange string
return MetFragNET.Spectra