private static SWATHIndexerItem CreateItem(MassSpectrum ms)
{
if (ms.BeginParamEdit().Get_MS_Level().GetInt32() != 2)
{
return(null);
}
if (ms.Precursors.Count < 1 ||
ms.Precursors[0].SelectedIons.Count < 1 ||
ms.Scans.Count < 1)
{
return(null);
}
IValueConverter rt = ms.Scans[0].BeginParamEdit().Get_MS_ScanStartTime();
IParamEdit isoWin = ms.Precursors[0].IsolationWindow.BeginParamEdit();
IValueConverter mz = isoWin.Get_MS_IsolationWindowTargetMz();
IValueConverter mzLow = isoWin.Get_MS_IsolationWindowLowerOffset();
IValueConverter mzHigh = isoWin.Get_MS_IsolationWindowUpperOffset();
if (rt.HasValue() &&
mz.HasValue() &&
mzLow.HasValue() &&
mzHigh.HasValue())
{
double mzValue = mz.GetDouble();
return(new SWATHIndexerItem()
{
Mz = mz.GetDouble(),
MzStart = SaveSubtract(mzValue, mzLow.GetDouble()),
MzEnd = SaveAdd(mzValue, mzHigh.GetDouble()),
Rt = rt.GetDouble(),
SpectrumID = ms.ID
});
}
else
{
return(null);
}
}
