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);
}
}
