Exemplo n.º 1
0
        public void getPeakChromAndStoreInPeakChromObject_Test1()
        {
            double chromToleranceInPPM = 20;
            var    targetMZ            = 831.48;


            Run run = new XCaliburRun2(FileRefs.RawDataMSFiles.OrbitrapStdFile1);

            var peakImporter = new DeconTools.Backend.Data.PeakImporterFromText(FileRefs.PeakDataFiles.OrbitrapPeakFile_scans5500_6500);

            peakImporter.ImportPeaks(run.ResultCollection.MSPeakResultList);

            var chromGen = new ChromatogramGenerator();

            PeakChrom chrom = new BasicPeakChrom();

            chrom.ChromSourceData = chromGen.GeneratePeakChromatogram(run.ResultCollection.MSPeakResultList, run.MinLCScan, run.MaxLCScan, targetMZ, chromToleranceInPPM);

            Assert.AreEqual(59, chrom.ChromSourceData.Count);
        }
Exemplo n.º 2
0
        public void getPeakChromatogramInTheFormOfMSPeakResult_Test1()
        {
            double chromToleranceInPPM = 20;
            var    targetMZ            = 831.48;


            Run run = new XCaliburRun2(FileRefs.RawDataMSFiles.OrbitrapStdFile1);

            var peakImporter = new DeconTools.Backend.Data.PeakImporterFromText(FileRefs.PeakDataFiles.OrbitrapPeakFile_scans5500_6500);

            peakImporter.ImportPeaks(run.ResultCollection.MSPeakResultList);


            var chromGen        = new ChromatogramGenerator();
            var filteredMSPeaks = chromGen.GeneratePeakChromatogram(run.ResultCollection.MSPeakResultList, run.MinLCScan, run.MaxLCScan, targetMZ, chromToleranceInPPM);

            //Assert.AreEqual(56, filteredMSPeaks.Count);

            TestUtilities.DisplayMSPeakResults(filteredMSPeaks);
        }