protected override void InitializeProcessingTasks() { base.InitializeProcessingTasks(); UimfDriftTimeExtractor = new UIMFDriftTimeExtractor(); UimfTicExtractor = new UIMF_TICExtractor(); SaturationDetector = new SaturationDetector(); }
protected override void InitializeProcessingTasks() { base.InitializeProcessingTasks(); UimfDriftTimeExtractor = new UIMFDriftTimeExtractor(); UimfTicExtractor = new UIMF_TICExtractor(); SaturationDetector = new SaturationDetector(); mCachedProgressMessage = string.Empty; mLastProgress = DateTime.UtcNow; }
public void Test1() { var saturationDetector = new SaturationDetector(); var testFile = FileRefs.RawDataMSFiles.UIMFStdFile3; var run = (UIMFRun) new RunFactory().CreateRun(testFile); var msgen = MSGeneratorFactory.CreateMSGenerator(run.MSFileType); var zeroFiller = new DeconToolsZeroFiller(); var peakDetector = new DeconToolsPeakDetectorV2(4, 3, Globals.PeakFitType.QUADRATIC, false); var decon = new HornDeconvolutor(); decon.LeftFitStringencyFactor = 2.5; decon.RightFitStringencyFactor = 0.5; var startScan = 100; var stopScan = 200; for (var i = startScan; i < stopScan; i++) { var frame = new ScanSet(500); var primaryScan = i; var scan = new ScanSet(primaryScan, primaryScan - 3, primaryScan + 3); run.CurrentScanSet = frame; run.CurrentScanSet = scan; msgen.Execute(run.ResultCollection); zeroFiller.Execute(run.ResultCollection); peakDetector.Execute(run.ResultCollection); decon.Execute(run.ResultCollection); saturationDetector.GetUnsummedIntensitiesAndDetectSaturation(run, run.ResultCollection.IsosResultBin); } var msfeatureElution = (from n in run.ResultCollection.ResultList where n.IsotopicProfile.MonoIsotopicMass > 1253.71 && n.IsotopicProfile.MonoIsotopicMass < 1253.73 select n); foreach (var result in msfeatureElution) { if (result.IsotopicProfile.IsSaturated || true) { Console.WriteLine(result.ScanSet.PrimaryScanNumber + "\t" + result.IsotopicProfile.MonoPeakMZ.ToString("0.0000") + "\t" + result.IntensityAggregate + "\t" + result.IsotopicProfile.IntensityAggregateAdjusted); } } //TestUtilities.DisplayIsotopicProfileData(testIso1); //TestUtilities.DisplayPeaks(run.PeakList); }