private static int RtRangeCompare(SwathSpectrumEntry item, SwathQuery query)
{
if (item.Rt < query.RtRange.LowValue)
{
return(-1);
}
if (item.Rt > query.RtRange.HighValue)
{
return(1);
}
return(0);
}
internal SwathSpectrumEntry SearchClosestRt(SwathQuery query)
{
IndexRange result;
if (BinarySearch.Search(swathSpectra, query, RtRangeCompare, out result))
{
return(IndexRange.EnumRange(swathSpectra, result)
.ItemAtMin(x => CalcLockRtDiffAbs(x, query)));
}
else
{
return(null);
}
}
internal MSSwath SearchClosestTargetMz(SwathQuery query)
{
IndexRange result;
if (BinarySearch.Search(swathes, query.TargetMz, SearchCompare, out result))
{
return(IndexRange.EnumRange(swathes, result)
.ItemAtMin(x => CalcTargetMzDiffAbs(x, query)));
}
else
{
return(null);
}
}
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);
}
private static double CalcLockRtDiffAbs(SwathSpectrumEntry swathSpectrum, SwathQuery query)
{
return(Math.Abs(swathSpectrum.Rt - query.RtRange.LockValue));
}
internal IEnumerable <SwathSpectrumEntry> SearchAllRt(SwathQuery query)
{
return(BinarySearch.Search(swathSpectra, query, RtRangeCompare));
}
private static double CalcTargetMzDiffAbs(MSSwath swath, SwathQuery query)
{
return(Math.Abs(swath.SwathWindow.TargetMz - query.TargetMz));
}