public static void GetXICs(ThermoSpectrum currentSpectrum, int specNumber, double rt)
{
// Not sure what this is doing
List <LFPeptide> donePeptides = targetPeptides.Where(x => x.LastScan < specNumber).ToList();
foreach (var pep in donePeptides)
{
pep.doneBuildingXIC = true;
}
List <LFPeptide> currPeptides = targetPeptides.Where(x => x.FirstScan <= specNumber && x.LastScan >= specNumber).ToList();
foreach (var pep in currPeptides)
{
List <ThermoMzPeak> outPeaks = new List <ThermoMzPeak>();
if (currentSpectrum.TryGetPeaks(pep.lookupRange, out outPeaks))
{
var matchPeak = GetClosestPeak(outPeaks, pep.UserMZ);
var newRTPeak = new RTPeak(matchPeak, rt);
pep.XICLibrary.Add(newRTPeak);
}
else
{
var newRTPeak = new RTPeak(pep.UserMZ, 0, rt);
pep.XICLibrary.Add(newRTPeak);
}
}
}
public bool Equals(RTPeak obj)
{
return(obj is RTPeak && Equals((RTPeak)obj));
}
public int CompareTo(Object other)
{
RTPeak otherPeak = (RTPeak)other;
return(RT.CompareTo(otherPeak.RT));
}
public int CompareTo(RTPeak other)
{
return(RT.CompareTo(other.RT));
}
public void AddExperimentPeak(RTPeak peak)
{
XICExperiment.Add(peak);
}
public void AddExperimentPeak(MZPeak peak, double RT)
{
var newRTPeak = new RTPeak(peak, RT);
XICExperiment.Add(newRTPeak);
}
public void AddLibraryPeak(RTPeak peak)
{
XICLibrary.Add(peak);
}
public void AddLibraryPeak(MZPeak peak, double RT)
{
var newRTPeak = new RTPeak(peak, RT);
XICLibrary.Add(newRTPeak);
}