public TransitionDocNode(Transition id,
Annotations annotations,
TransitionLosses losses,
double massH,
TransitionIsotopeDistInfo isotopeDistInfo,
TransitionLibInfo libInfo,
Results <TransitionChromInfo> results)
: base(id, annotations)
{
Losses = losses;
if (losses != null)
{
massH -= losses.Mass;
}
if (id.IsCustom())
{
Mz = new SignedMz(BioMassCalc.CalculateIonMz(massH, id.Charge), id.IsNegative());
}
else
{
Mz = new SignedMz(SequenceMassCalc.GetMZ(massH, id.Charge) + SequenceMassCalc.GetPeptideInterval(id.DecoyMassShift), id.IsNegative());
}
IsotopeDistInfo = isotopeDistInfo;
LibInfo = libInfo;
Results = results;
}
public TransitionDocNode(Transition id,
Annotations annotations,
TransitionLosses losses,
TypedMass mass,
TransitionQuantInfo transitionQuantInfo,
Results <TransitionChromInfo> results)
: base(id, annotations)
{
Losses = losses;
if (losses != null)
{
mass -= losses.Mass;
}
Mz = id.IsCustom() ?
new SignedMz(id.Adduct.MzFromNeutralMass(mass), id.IsNegative()) :
new SignedMz(SequenceMassCalc.GetMZ(mass, id.Adduct) + SequenceMassCalc.GetPeptideInterval(id.DecoyMassShift), id.IsNegative());
MzMassType = mass.MassType;
IsotopeDistInfo = transitionQuantInfo.IsotopeDistInfo;
LibInfo = transitionQuantInfo.LibInfo;
Results = results;
Quantitative = transitionQuantInfo.Quantititative;
}