public static void TestReadRaw() { try { var dataFilePath = @"..\..\Data\Angiotensin_AllScans.raw"; var reader = new pwiz.ProteowizardWrapper.MSDataFileReader(dataFilePath); var isABSciexFile = reader.IsABFile; var isThermoFile = reader.IsThermoFile; Console.WriteLine(); Console.WriteLine(System.IO.Path.GetFileName(dataFilePath) + " IsABSciexFile: " + isABSciexFile); Console.WriteLine(System.IO.Path.GetFileName(dataFilePath) + " IsThermoFile: " + isThermoFile); for (var targetIndex = 1; targetIndex < reader.SpectrumCount; targetIndex *= 2) { var spectrum = reader.GetSpectrum(targetIndex); Console.WriteLine("Spectrum at index {0,-4} is scan {1,-45} with {2,4} points", targetIndex, spectrum.NativeId, spectrum.Mzs.Length); } } catch (Exception ex) { Console.WriteLine("Error: " + ex.Message); } }
public override XYData GetMassSpectrum(ScanSet scanSet) { if (scanSet.PrimaryScanNumber > MaxLCScan) { throw new ArgumentOutOfRangeException("Cannot get mass spectrum. Exceeded max scan (which = " + MaxLCScan + ")"); } if (scanSet.PrimaryScanNumber < MinLCScan) { throw new ArgumentOutOfRangeException("Cannot get mass spectrum. Exceeded min scan (which = " + MinLCScan + ")"); } _reader.GetSpectrum(scanSet.PrimaryScanNumber, out var xVals, out var yVals); var xyData = new XYData { Xvalues = xVals, Yvalues = yVals }; return(xyData); }
public static void TestReadBruker() { try { var dataFilePath = @"\\proto-6\12T_FTICR_B\2014_4\2014_09_30_Stegen_ALK-3_ACN_Core05-org-1_000001\2014_09_30_Stegen_ALK-3_ACN_Core05-org-1_000001.d"; var reader = new pwiz.ProteowizardWrapper.MSDataFileReader(dataFilePath); var isABSciexFile = reader.IsABFile; var isThermoFile = reader.IsThermoFile; Console.WriteLine(); Console.WriteLine(System.IO.Path.GetFileName(dataFilePath) + " IsABSciexFile: " + isABSciexFile); Console.WriteLine(System.IO.Path.GetFileName(dataFilePath) + " IsThermoFile: " + isThermoFile); const int targetIndex = 0; var spectrum = reader.GetSpectrum(targetIndex); Console.WriteLine("Spectrum at index {0} is scan {1} with {2} points", targetIndex, spectrum.NativeId, spectrum.Mzs.Length); } catch (Exception ex) { Console.WriteLine("Error: " + ex.Message); } }