public static void DifferentAnalyzersTest() { IMzmlScan[] scans = new IMzmlScan[2]; double[] intensities1 = new double[] { 1 }; double[] mz1 = new double[] { 50 }; MzmlMzSpectrum massSpec1 = new MzmlMzSpectrum(mz1, intensities1, false); scans[0] = new MzmlScan(1, massSpec1, 1, true, Polarity.Positive, 1, new MzRange(1, 100), "f", MZAnalyzerType.Orbitrap, massSpec1.SumOfAllY, null, "1"); double[] intensities2 = new double[] { 1 }; double[] mz2 = new double[] { 30 }; MzmlMzSpectrum massSpec2 = new MzmlMzSpectrum(mz2, intensities2, false); scans[1] = new MzmlScanWithPrecursor(2, massSpec2, 2, true, Polarity.Positive, 2, new MzRange(1, 100), "f", MZAnalyzerType.IonTrap3D, massSpec2.SumOfAllY, 50, null, null, 50, 1, DissociationType.CID, 1, null, null, "2"); FakeMsDataFile f = new FakeMsDataFile(scans); MzmlMethods.CreateAndWriteMyMzmlWithCalibratedSpectra(f, Path.Combine(TestContext.CurrentContext.TestDirectory, "asdfefsf.mzML"), false); Mzml ok = Mzml.LoadAllStaticData(Path.Combine(TestContext.CurrentContext.TestDirectory, "asdfefsf.mzML")); Assert.AreEqual(MZAnalyzerType.Orbitrap, ok.First().MzAnalyzer); Assert.AreEqual(MZAnalyzerType.IonTrap3D, ok.Last().MzAnalyzer); }
public static void AnotherMzMLtest() { IMzmlScan[] scans = new IMzmlScan[4]; double[] intensities1 = new double[] { 1 }; double[] mz1 = new double[] { 50 }; MzmlMzSpectrum massSpec1 = new MzmlMzSpectrum(mz1, intensities1, false); scans[0] = new MzmlScan(1, massSpec1, 1, true, Polarity.Positive, 1, new MzRange(1, 100), "f", MZAnalyzerType.Orbitrap, massSpec1.SumOfAllY, null, "1"); double[] intensities2 = new double[] { 1 }; double[] mz2 = new double[] { 30 }; MzmlMzSpectrum massSpec2 = new MzmlMzSpectrum(mz2, intensities2, false); scans[1] = new MzmlScanWithPrecursor(2, massSpec2, 2, true, Polarity.Positive, 2, new MzRange(1, 100), "f", MZAnalyzerType.Orbitrap, massSpec2.SumOfAllY, 50, null, null, 50, 1, DissociationType.CID, 1, null, null, "2"); double[] intensities3 = new double[] { 1 }; double[] mz3 = new double[] { 50 }; MzmlMzSpectrum massSpec3 = new MzmlMzSpectrum(mz3, intensities3, false); scans[2] = new MzmlScan(3, massSpec3, 1, true, Polarity.Positive, 1, new MzRange(1, 100), "f", MZAnalyzerType.Orbitrap, massSpec1.SumOfAllY, null, "3"); double[] intensities4 = new double[] { 1 }; double[] mz4 = new double[] { 30 }; MzmlMzSpectrum massSpec4 = new MzmlMzSpectrum(mz4, intensities4, false); scans[3] = new MzmlScanWithPrecursor(4, massSpec4, 2, true, Polarity.Positive, 2, new MzRange(1, 100), "f", MZAnalyzerType.Orbitrap, massSpec2.SumOfAllY, 50, null, null, 50, 1, DissociationType.CID, 3, null, null, "4"); FakeMsDataFile f = new FakeMsDataFile(scans); MzmlMethods.CreateAndWriteMyMzmlWithCalibratedSpectra(f, Path.Combine(TestContext.CurrentContext.TestDirectory, "what.mzML"), false); Mzml ok = Mzml.LoadAllStaticData(Path.Combine(TestContext.CurrentContext.TestDirectory, "what.mzML")); var scanWithPrecursor = ok.Last(b => b is IMsDataScanWithPrecursor <IMzSpectrum <IMzPeak> >) as IMsDataScanWithPrecursor <IMzSpectrum <IMzPeak> >; Assert.AreEqual(3, scanWithPrecursor.OneBasedPrecursorScanNumber); }