public SrmTransition(FragmentIon fragment, double ce, double?dp, double rtWindow, int precursorCharge, int charge) { _fragment = fragment; CollisionEnergy = ce; DeclusteringPotential = dp; RetentionTimeWindow = rtWindow; PrecursorCharge = precursorCharge; Charge = charge; }
public SrmTransition GetModel(PepV01 peptide) { int offset = FragmentIon.OrdinalToOffset(FragmentType, FragmentOrdinal, peptide.Length); double mh = NeutralMass + BioMassCalc.MassProton; FragmentIon fragment = new FragmentIon(peptide, FragmentType, offset, mh); double start = StartRT ?? 0; double stop = StopRT ?? 0; return(new SrmTransition(fragment, CollisionEnergy, DeclusteringPotential, start - stop, PrecursorCharge, ProductCharge)); }
public override bool Equals(object obj) { if (ReferenceEquals(this, obj)) { return(true); } FragmentIon ion = obj as FragmentIon; return(ion != null && ion.IType == IType && ion.CleavageOffset == CleavageOffset && Equals(ion._peptide, _peptide)); }
public SrmTransition(FragmentIon fragment, double ce, double? dp, double rtWindow, int precursorCharge, int charge) { _fragment = fragment; CollisionEnergy = ce; DeclusteringPotential = dp; RetentionTimeWindow = rtWindow; PrecursorCharge = precursorCharge; Charge = charge; }
public SrmTransition GetModel(PepV01 peptide) { int offset = FragmentIon.OrdinalToOffset(FragmentType, FragmentOrdinal, peptide.Length); double mh = NeutralMass + BioMassCalc.MassProton; FragmentIon fragment = new FragmentIon(peptide, FragmentType, offset, mh); double start = StartRT ?? 0; double stop = StopRT ?? 0; return new SrmTransition(fragment, CollisionEnergy, DeclusteringPotential, start - stop, PrecursorCharge, ProductCharge); }