public double GetMass(QuantitationChannelSetMassType massType = QuantitationChannelSetMassType.Average)
{
if (Count <= 1)
{
return(MonoisotopicMass);
}
switch (massType)
{
default:
case QuantitationChannelSetMassType.Average:
return(MonoisotopicMass / Count);
case QuantitationChannelSetMassType.Lightest:
return(LightestChannel.MonoisotopicMass);
case QuantitationChannelSetMassType.Heaviest:
return(HeaviestChannel.MonoisotopicMass);
case QuantitationChannelSetMassType.Median:
if (Count % 2 == 0)
{
return((_channels.Values[(Count / 2) - 1].MonoisotopicMass + _channels.Values[Count / 2].MonoisotopicMass) / 2.0);
}
return(_channels.Values[Count / 2].MonoisotopicMass);
}
}
public QuantitationChannelSet(string name, QuantitationChannelSetMassType massType = QuantitationChannelSetMassType.Average, bool sequenceDependent = true)
{
Name = name;
MassType = massType;
MonoisotopicMass = 0;
_channels = new SortedList<double, IQuantitationChannel>();
IsSequenceDependent = sequenceDependent;
}
public QuantitationChannelSet(string name, QuantitationChannelSetMassType massType = QuantitationChannelSetMassType.Average, bool sequenceDependent = true)
{
Name = name;
MassType = massType;
MonoisotopicMass = 0;
_channels = new SortedList <double, IQuantitationChannel>();
IsSequenceDependent = sequenceDependent;
}
public double GetMass(QuantitationChannelSetMassType massType = QuantitationChannelSetMassType.Average)
{
if (Count <= 1)
{
return MonoisotopicMass;
}
switch (massType)
{
default:
case QuantitationChannelSetMassType.Average:
return MonoisotopicMass / Count;
case QuantitationChannelSetMassType.Lightest:
return LightestChannel.MonoisotopicMass;
case QuantitationChannelSetMassType.Heaviest:
return HeaviestChannel.MonoisotopicMass;
case QuantitationChannelSetMassType.Median:
if (Count % 2 == 0)
{
return (_channels.Values[(Count / 2) - 1].MonoisotopicMass + _channels.Values[Count / 2].MonoisotopicMass) / 2.0;
}
else
{
return _channels.Values[Count / 2].MonoisotopicMass;
}
}
}
