public void quantifyN14N15RatioTest1()
{
Run run = new BrukerRun(@"F:\Gord\Data\N14N15\HuttlinTurnover\RSPH_Aonly_28_run1_26Oct07_Andromeda_07-09-02\acqus");
MSGeneratorFactory fact = new MSGeneratorFactory();
Task msgen = fact.CreateMSGenerator(run.MSFileType);
DeconToolsPeakDetector peakDet = new DeconToolsPeakDetector();
peakDet.PeakBackgroundRatio = 4;
peakDet.SigNoiseThreshold = 3;
peakDet.IsDataThresholded = false;
Task theorFeature = new DeconTools.Backend.ProcessingTasks.TheorFeatureGenerator.TomTheorFeatureGenerator();
List <MassTag> massTags = TestUtilities.CreateN14N15TestMassTagList();
run.CurrentMassTag = massTags[0];
run.CurrentScanSet = new ScanSet(1210);
run.ResultCollection.MassTagResultType = DeconTools.Backend.Globals.MassTagResultType.N14N15_MASSTAG_RESULT;
msgen.Execute(run.ResultCollection);
peakDet.Execute(run.ResultCollection);
theorFeature.Execute(run.ResultCollection);
N14N15TFFTask finder = new N14N15TFFTask(30);
finder.Execute(run.ResultCollection);
N14N15QuantifierTask quant = new N14N15QuantifierTask();
quant.Execute(run.ResultCollection);
N14N15_TResult massTagResult = (N14N15_TResult)run.ResultCollection.GetMassTagResult(run.CurrentMassTag);
TestUtilities.DisplayIsotopicProfileData(massTagResult.IsotopicProfile);
Console.WriteLine("------------------");
TestUtilities.DisplayIsotopicProfileData(massTagResult.IsotopicProfileLabeled);
Console.WriteLine("------------------");
Console.WriteLine("Ratio N14/N15 = " + massTagResult.RatioN14N15);
}
public void find_unlabelledAndUnlabelledIsotopicProfilesTest1()
{
Run run = new BrukerRun(rsph_AOnly_28_run1File);
MSGeneratorFactory fact = new MSGeneratorFactory();
Task msgen = fact.CreateMSGenerator(run.MSFileType);
DeconToolsPeakDetector peakDet = new DeconToolsPeakDetector();
peakDet.PeakBackgroundRatio = 4;
peakDet.SigNoiseThreshold = 3;
peakDet.IsDataThresholded = false;
Task theorFeature = new DeconTools.Backend.ProcessingTasks.TheorFeatureGenerator.TomTheorFeatureGenerator();
List <MassTag> massTags = TestUtilities.CreateN14N15TestMassTagList();
run.CurrentMassTag = massTags[0];
run.CurrentScanSet = new ScanSet(1210);
run.ResultCollection.MassTagResultType = DeconTools.Backend.Globals.MassTagResultType.N14N15_MASSTAG_RESULT;
msgen.Execute(run.ResultCollection);
peakDet.Execute(run.ResultCollection);
theorFeature.Execute(run.ResultCollection);
N14N15TFFTask finder = new N14N15TFFTask(30);
finder.Execute(run.ResultCollection);
//TestUtilities.DisplayIsotopicProfileData(finder.LabeledTheorProfile);
N14N15_TResult massTagResult = (N14N15_TResult)run.ResultCollection.GetMassTagResult(run.CurrentMassTag);
TestUtilities.DisplayIsotopicProfileData(massTagResult.IsotopicProfile);
Console.WriteLine("------------------");
TestUtilities.DisplayIsotopicProfileData(massTagResult.IsotopicProfileLabeled);
}