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);
}
