private void AddZeroIntensityPeaks(IsotopicProfile foundIso, IsotopicProfile theorIso, double minIntensityThreshold)
{
var clonedTheor = theorIso.CloneIsotopicProfile();
clonedTheor.Peaklist = clonedTheor.Peaklist.Where(p => p.Height > minIntensityThreshold).ToList();
foreach (var msPeak in clonedTheor.Peaklist)
{
msPeak.Height = 0;
}
combineIsotopicProfiles(foundIso, clonedTheor);
}
private IsotopicProfile GetIsoDataPassingChromCorrelation(ChromCorrelationData chromCorrelationData, IsotopicProfile iso)
{
var returnedIso = iso.CloneIsotopicProfile();
returnedIso.Peaklist.Clear();
for (var i = 0; i < iso.Peaklist.Count; i++)
{
if (i < chromCorrelationData.CorrelationDataItems.Count)
{
if (chromCorrelationData.CorrelationDataItems[i].CorrelationRSquaredVal > MinimumRSquaredValForQuant)
{
returnedIso.Peaklist.Add(iso.Peaklist[i]);
}
else
{
break;
}
}
}
return(returnedIso);
}