public void PrintOffsetFrequency()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
if (!File.Exists(TsvFile))
{
Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, TsvFile);
}
var spectrumMatches = InitTest();
using (var debugFile = new StreamWriter(OutputFileName))
{
foreach (var spectrumMatch in spectrumMatches)
{
var offsetFrequencyTable = new PrecursorOffsetFrequencyTable(100, spectrumMatch.PrecursorCharge,
1.005/spectrumMatch.PrecursorCharge);
var ionType = _ionTypes[spectrumMatch.PrecursorCharge - 1];
var ion = ionType.GetIon(spectrumMatch.PeptideComposition);
var mz = ion.GetMonoIsotopicMz();
offsetFrequencyTable.AddMatches(new List<SpectrumMatch> {spectrumMatch});
var offsetFrequencies = offsetFrequencyTable.GetProbabilities();
debugFile.WriteLine("ScanNum\tM/Z\tPrecursor Charge\tIon Type\tPeptide");
debugFile.WriteLine("{0}\t{1}\t{2}\t{3}\t{4}",
spectrumMatch.Spectrum.ScanNum, mz, spectrumMatch.PrecursorCharge, ionType.Name, spectrumMatch.Peptide);
debugFile.WriteLine("Offset\tM/Z");
foreach (var offsetFrequency in offsetFrequencies)
{
if (offsetFrequency.Found > 0)
debugFile.WriteLine("{0}\t{1}", offsetFrequency.Label, offsetFrequency.Label+mz);
}
}
}
}