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); }