public void TestReadPeptideFile()
    {
      MaxQuantPeptideTextFormat reader = new MaxQuantPeptideTextFormat();

      var spectra = reader.ReadFromFile(@"../../../data/maxquant.peptides.txt");

      for (int i = 0; i < spectra.Count; i++)
      {
        var s = spectra[i];
        if (s.Query.FileScan.Experimental == "exp3_T_SAX_091215_02")
        {
          Console.WriteLine("{0}, {1}", i, s.Query.FileScan.LongFileName);
          //break;
        }
      }
      
    }
    public void TestRead()
    {
      MaxQuantPeptideTextFormat reader = new MaxQuantPeptideTextFormat();
      var spectra = reader.ReadFromFile(@"../../../data/All_Phospho (STY)Sites.txt");
      Assert.AreEqual(1, spectra.Count);
      var m = spectra[0].GetMaxQuantItemList();
      Assert.IsNotNull(m);
      Assert.AreEqual(6, m.Count);
      var dsNames = m.GetDatasetNames();
      Assert.IsTrue(dsNames.Contains("0min"));
      Assert.IsTrue(dsNames.Contains("5min"));
      Assert.IsTrue(dsNames.Contains("15min"));
      Assert.IsTrue(dsNames.Contains("30min"));
      Assert.IsTrue(dsNames.Contains("60min"));
      Assert.IsTrue(dsNames.Contains("120min"));

      reader.ResetBySpectra(spectra);
      reader.WriteToFile(@"../../../data/All_Phospho (STY)Sites.txt.copy", spectra);
    }