예제 #1
0
        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);
        }
예제 #2
0
        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);
        }