public double GetAdjustedRatioUsingChromCorrData(O16O18TargetedResultObject o16O18TargetedResultObject)
{
double ratio;
intensityTheorI0 = getI0Intensity(o16O18TargetedResultObject.Target.IsotopicProfile);
intensityTheorI2 = getI2Intensity(o16O18TargetedResultObject.Target.IsotopicProfile);
intensityTheorI4 = GetI4Intensity(o16O18TargetedResultObject.Target.IsotopicProfile);
if (o16O18TargetedResultObject.ChromCorrelationData == null)
{
return(-1);
}
var noO16PeakPresent = !o16O18TargetedResultObject.ChromCorrelationData.CorrelationDataItems.Any();
if (noO16PeakPresent)
{
ratio = 0;
}
else
{
var ratioSingleO18ToO16 = o16O18TargetedResultObject.ChromCorrelationData.CorrelationDataItems[0].CorrelationSlope ?? 0d;
var ratioDoubleO18ToO16 = o16O18TargetedResultObject.ChromCorrelationData.CorrelationDataItems[1].CorrelationSlope ?? 0d;
double adjRatioI0I4;
var tempIntensity = CalculateRatio(intensityTheorI0, intensityTheorI2, intensityTheorI4, 1.0, ratioSingleO18ToO16,
ratioDoubleO18ToO16, out adjRatioI0I4);
ratio = 1 / adjRatioI0I4; //report the o16/o18 ratio
}
return(ratio);
}
private static void addAdditionalInfo(TargetedResultDTO tr, O16O18TargetedResultObject result)
{
var r = (O16O18TargetedResultDTO)tr;
r.IntensityI0 = getIntensityFromIso(result.IsotopicProfile, 0);
r.IntensityI2 = getIntensityFromIso(result.IsotopicProfile, 2);
r.IntensityI4 = getIntensityFromIso(result.IsotopicProfile, 4);
r.IntensityTheorI0 = getIntensityFromIso(result.Target.IsotopicProfile, 0);
r.IntensityTheorI2 = getIntensityFromIso(result.Target.IsotopicProfile, 2);
r.IntensityTheorI4 = getIntensityFromIso(result.Target.IsotopicProfile, 4);
r.IntensityI4Adjusted = result.IntensityI4Adjusted;
r.ChromCorrO16O18DoubleLabel = (float)(result.ChromCorrO16O18DoubleLabel ?? 0f);
r.ChromCorrO16O18SingleLabel = (float)(result.ChromCorrO16O18SingleLabel ?? 0f);
r.Ratio = result.RatioO16O18;
r.RatioFromChromCorr = result.RatioO16O18FromChromCorr;
}
