public static bool Run()
{
string outputPath = @"C:\_IRIC\DATA\Test\testMhc\Stats\";
vsCSVWriter writer = new vsCSVWriter(outputPath + "output.csv");
writer.AddLine("File,# MS1s,# MSMS,1 Charge,2 Charge,3 Charge,4 Charge,5 Charge,6 Charge,7 Charge,8 Charge,9 Charge,10 Charge,11 Charge,12 Charge,13 Charge,14 Charge");
DBOptions options = MhcSample.CreateOptions(outputPath);
string[] files = new string[] { @"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS60_MSMS15.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS60_MSMS30.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS60_MSMS60.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS120_MSMS15.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS120_MSMS30.raw",
@"N:\Thibault\-=Proteomics_Raw_Data=-\ELITE\JUL29_2013\Settepeptides_300713_10uL_MS120_MSMS60.raw" };
foreach (string file in files)
{
pwiz.CLI.msdata.MSDataFile msFile = new pwiz.CLI.msdata.MSDataFile(file);
Spectra spectra = Spectra.Load(msFile, options, file);
spectra.Sort(ProductSpectrum.AscendingPrecursorMassComparison);
Dictionary <Track, Precursor> DicOfComputedTracks = new Dictionary <Track, Precursor>();
int[] charges = new int[14];
foreach (Track track in spectra.tracks)
{
if (!DicOfComputedTracks.ContainsKey(track))
{
DicOfComputedTracks.Add(track, null);
int charge = 0;
foreach (Precursor precursor in Queries.GetIsotopes(track, options, spectra.tracks, null))
{
if (precursor.Charge > 0)
{
charge = precursor.Charge;
}
if (!DicOfComputedTracks.ContainsKey(precursor.Track))
{
DicOfComputedTracks.Add(precursor.Track, precursor);
}
}
charges[charge]++;
}
}
string line = file + "," + spectra.MS1s.Count + "," + spectra.Count;
for (int i = 0; i < charges.Length; i++)
{
line += "," + charges[i];
}
writer.AddLine(line);
}
writer.WriteToFile();
return(true);
}
