public static object CreateView(string rawName, string scan, IConSol consol) { if (options == null) { options = DotNetMHC.MHCSearcher.CreateOptions(new string[] { "" }, "", 15, 0.05, consol); } //Get file path //Get Spectrum Numerics.SequenceStore store = Numerics.SequenceStore.GetStore(0.05); string rawFile = Numerics.SourceStore.GetDictionary()[rawName]; DotNetMHC.Data.Spectrum spectrum = DotNetMHC.RawExtractor.LoadSpectrum(rawFile, scan, options); List <Data.PeptideView> peptides = store.GetPeptides(spectrum, options); double bestScore = 0.0; Data.PeptideView bestPeptide = peptides[0]; foreach (Data.PeptideView peptide in peptides) { if (peptide.SpectrumScore > bestScore) { bestScore = peptide.SpectrumScore; bestPeptide = peptide; } } return(new Data.SpecView(spectrum, peptides, bestPeptide)); }
public SpecView(Spectrum spectrum, List <PeptideView> peptides, PeptideView peptide) { Peptides = peptides.ToArray(); Source = spectrum.Source; ScanNumber = spectrum.ScanNumber; RetentionTimeInMin = spectrum.RetentionTimeInMin; PrecursorMZ = spectrum.PrecursorMZ; PrecursorIntensity = spectrum.PrecursorIntensity; PrecursorCharge = spectrum.PrecursorCharge; PrecursorMass = spectrum.PrecursorMass; Peaks = spectrum.Peaks.ToArray(); InjectionTime = spectrum.InjectionTime; Ms1InjectionTime = spectrum.Ms1InjectionTime; MaxPeakIntensity = spectrum.MaxPeakIntensity; AveragePeakIntensity = spectrum.AveragePeakIntensity; SumPeakIntensity = spectrum.SumPeakIntensity; }