public void ExecutePeakDetectorTest1()
{
var testChromatogramDataFile = @"\\protoapps\UserData\Slysz\DeconTools_TestFiles\TargetedWorkflowStandards\massTag635428_chromatogramData.txt";
var xydata = TestUtilities.LoadXYDataFromFile(testChromatogramDataFile);
Assert.IsNotNull(xydata);
Run run = new ConcreteXYDataRun(xydata.Xvalues, xydata.Yvalues);
var peakDetector = new ChromPeakDetector();
peakDetector.PeakToBackgroundRatio = 0.5;
peakDetector.SignalToNoiseThreshold = 0.5;
peakDetector.IsDataThresholded = true;
run.XYData = xydata;
peakDetector.Execute(run.ResultCollection);
Assert.IsTrue(run.PeakList.Count > 0);
Assert.AreEqual(8, run.PeakList.Count);
var mostAbundantPeak = run.PeakList.OrderByDescending(p => p.Height).First();
Assert.IsTrue(mostAbundantPeak is ChromPeak);
Assert.AreEqual(2498682m, (decimal)mostAbundantPeak.Height);
Assert.AreEqual(10065.52418m, (decimal)Math.Round(mostAbundantPeak.XValue, 5));
Assert.AreEqual(92.27364m, (decimal)Math.Round(mostAbundantPeak.Width, 5));
}
public void getIsotopicProfile()
{
Check.Require(this.data != null, "Data has not been loaded. 'CalculateDistribution' should first be executed");
Run run = new ConcreteXYDataRun(this.data.Xvalues, this.data.Yvalues);
run.CurrentScanSet = new ScanSet(0);
ResultCollection tempResults = new ResultCollection(run);
peakDetector.PeakBackgroundRatio = 0.5;
peakDetector.SigNoiseThreshold = 1;
peakDetector.PeakFitType = Globals.PeakFitType.QUADRATIC;
peakDetector.IsDataThresholded = true;
peakDetector.Execute(run.ResultCollection);
this.IsotopicProfile = new IsotopicProfile();
this.IsotopicProfile.ChargeState = this.chargeState;
this.IsotopicProfile.Peaklist = run.MSPeakList;
}
public void getIsotopicProfile()
{
Check.Require(Data != null, "Data has not been loaded. 'CalculateDistribution' should first be executed");
Run run = new ConcreteXYDataRun(Data.Xvalues, Data.Yvalues);
run.CurrentScanSet = new ScanSet(0);
var tempResults = new ResultCollection(run);
peakDetector.PeakToBackgroundRatio = 0.5;
peakDetector.SignalToNoiseThreshold = 1;
peakDetector.PeakFitType = Globals.PeakFitType.QUADRATIC;
peakDetector.IsDataThresholded = true;
peakDetector.Execute(run.ResultCollection);
IsotopicProfile = new IsotopicProfile
{
ChargeState = ChargeState,
Peaklist = Converters.PeakTypeConverter.ConvertToMSPeaks(run.PeakList)
};
}
