Beispiel #1
0
        public virtual void Analyze()
        {
            if (product == null)
            {
                return;
            }

            product.MaxScore();
            ISpectrum        spectrum = product.GetSpectrum();
            HashSet <string> seen     = new HashSet <string>();

            foreach (IGlycoPeptideScore g in product.GetResults())
            {
                // remove redudant
                string structure = string.Join("_", g.GetGlycoPeptide().GetGlycan().GetStructure());
                string seq       = g.GetGlycoPeptide().GetPeptide().GetSequence();
                if (!seen.Contains(structure + seq))
                {
                    seen.Add(structure + seq);
                }
                else
                {
                    continue;
                }

                writer.Write(spectrum.GetScanNum().ToString() + ", ");
                writer.Write(seq + ", ");
                writer.Write(structure + ", ");
                writer.Write(g.GetScore().ToString() + ", ");
                writer.Write((spectrum as ISpectrumMSn).GetParentMZ().ToString() + ", ");
                writer.WriteLine((spectrum as ISpectrumMSn).GetParentCharge().ToString());
            }
        }