/// <summary>
/// Get a mass value from the text string, treating the string as m/z info if we have a charge state
/// </summary>
private double?GetMassFromText(string text)
{
try
{
if (String.IsNullOrEmpty(text))
{
return(null);
}
else
{
double parsed = double.Parse(text);
if (Charge.HasValue)
{
// Convert from m/z to mass
return(BioMassCalc.CalculateIonMassFromMz(parsed, Charge.Value));
}
return(parsed);
}
}
catch (Exception)
{
return(null);
}
}
public double GetMassI(int massIndex, int?decoyMassShift = null)
{
// Return the original monoisotopic mass + H, if requested to maintain an exact match.
if (massIndex == 0 && !decoyMassShift.HasValue)
{
return(_monoisotopicMass);
}
// Otherwize use the charge to convert from the peak center m/z values
double shift = SequenceMassCalc.GetPeptideInterval(decoyMassShift); // Correct for shift applied to the distribution
return(_isMassH ? SequenceMassCalc.GetMH(ExpectedPeaks[MassIndexToPeakIndex(massIndex)].Mz - shift, _charge) : BioMassCalc.CalculateIonMassFromMz(ExpectedPeaks[MassIndexToPeakIndex(massIndex)].Mz - shift, _charge));
}
public double GetIonMass()
{
return(Transition.IsCustom()
? BioMassCalc.CalculateIonMassFromMz(Mz, Transition.Charge)
: SequenceMassCalc.GetMH(Mz, Transition.Charge));
}