IPeak Average(IPeak target, List <IPeak> peaks)
{
double weighted = peaks.Select(p => p.GetMZ() * p.GetIntensity()).Sum();
double intensity_sums = peaks.Select(p => p.GetIntensity()).Sum();
return(new GeneralPeak(
Math.Round(weighted / intensity_sums, mzRound),
Math.Round(target.GetIntensity(), peakRound)));
}
List <IPeak> NeighborPeaks(IPeak target, List <IPeak> peaks)
{
List <IPeak> neighbors = new List <IPeak>();
int index = peaks.BinarySearch(target);
int curr = index;
while (curr >= 0)
{
if (peaks[curr].GetIntensity() < target.GetIntensity() * percent)
{
break;
}
else if (peaks[curr].GetMZ() + precision < target.GetMZ())
{
break;
}
neighbors.Add(peaks[curr]);
if (curr > 0 && peaks[curr - 1].GetIntensity() > peaks[curr].GetIntensity())
{
break;
}
curr--;
}
curr = index + 1;
while (curr < peaks.Count)
{
if (peaks[curr].GetIntensity() > peaks[curr - 1].GetIntensity())
{
break;
}
else if (peaks[curr].GetIntensity() < target.GetIntensity() * percent)
{
break;
}
else if (peaks[curr].GetMZ() - precision > target.GetMZ())
{
break;
}
neighbors.Add(peaks[curr]);
curr++;
}
return(neighbors);
}
private void AddScoreWithType(IPeak peak, MassType type)
{
if (!matches.ContainsKey(type))
{
matches[type] = new List <double>();
}
double mz = peak.GetMZ();
if (!peakInclude.Contains(mz))
{
peakInclude.Add(mz);
matches[type].Add(alpha * peak.GetIntensity() + beta);
}
}
public PeakPoint(IPeak peak)
{
MZ = peak.GetMZ();
Intensity = peak.GetIntensity();
}
public double GetIntensity()
{
return(peak.GetIntensity());
}
