public static Peak2D AsPeak2D( this Peak1D p, double rt) { if (p == null) { throw new ArgumentNullException("p"); } return(new Peak2D(p.Intensity, p.Mz, rt)); }
private static int MzRangeCompare(Peak1D p, RangeQuery mzRange) { if (p.Mz < mzRange.LowValue) { return(-1); } if (p.Mz > mzRange.HighValue) { return(1); } return(0); }
public Peak2D[] GetMS2( IMzLiteDataReader dataReader, SwathQuery query, Func <IEnumerable <Peak1D>, RangeQuery, Peak1D> mzRangeSelector = null) { if (dataReader == null) { throw new ArgumentNullException("dataReader"); } if (query == null) { throw new ArgumentNullException("query"); } if (mzRangeSelector == null) { mzRangeSelector = GetClosestMz; } MSSwath swath = swathList.SearchClosestTargetMz(query); if (swath == null) { return(new Peak2D[0]); } SwathSpectrumEntry swathSpec = swath.SearchClosestRt(query); if (swathSpec == null) { return(new Peak2D[0]); } Peak1DArray spectrumPeaks = dataReader.ReadSpectrumPeaks(swathSpec.SpectrumID); Peak2D[] ms2Peaks = new Peak2D[query.CountMS2Masses]; for (int i = 0; i < query.CountMS2Masses; i++) { RangeQuery mzRange = query[i]; IEnumerable <Peak1D> mzPeaks = BinarySearch.Search(spectrumPeaks.Peaks, mzRange, MzRangeCompare); Peak1D p = mzRangeSelector(mzPeaks, mzRange); ms2Peaks[i] = new Peak2D(p.Intensity, p.Mz, swathSpec.Rt); } return(ms2Peaks); }