public override void Execute(ResultCollection resultList)
{
var result = resultList.CurrentTargetedResult;
Check.Require(result is O16O18TargetedResultObject, "O16O18 quantifier failed. Result is not of the O16O18 type.");
var o16o18result = (O16O18TargetedResultObject)result;
o16o18result.RatioO16O18 = _quantifier.GetAdjusted_I0_I4_YeoRatio(result.IsotopicProfile, result.Target.IsotopicProfile);
o16o18result.IntensityI4Adjusted = _quantifier.adjustedI4Intensity;
o16o18result.RatioO16O18FromChromCorr = _quantifier.GetAdjustedRatioUsingChromCorrData(result as O16O18TargetedResultObject);
}
//public override void FindFeature(DeconTools.Backend.Core.ResultCollection resultColl)
//{
// resultColl.ResultType = Globals.ResultType.O16O18_MASSTAG_RESULT;
// MassTagResultBase result = resultColl.GetMassTagResult(resultColl.Run.CurrentMassTag);
// if (result == null)
// {
// result = resultColl.CreateMassTagResult(resultColl.Run.CurrentMassTag);
// }
// if (result.ScanSet == null)
// {
// result.ScanSet = resultColl.Run.CurrentScanSet;
// }
// result.IsotopicProfile = m_featureFinder.FindFeature(resultColl.Run.PeakList, this.TheorFeature, this.ToleranceInPPM, this.NeedMonoIsotopicPeak);
// addInfoToResult(result);
//}
private void addInfoToResult(TargetedResultBase result)
{
if (result.IsotopicProfile != null)
{
result.IsotopicProfile.ChargeState = result.Target.ChargeState;
result.IsotopicProfile.MonoIsotopicMass = (result.IsotopicProfile.GetMZ() - Globals.PROTON_MASS) * result.Target.ChargeState;
result.IntensityAggregate = result.IsotopicProfile.getMostIntensePeak().Height; // may need to change this to sum the top n peaks.
}
((O16O18TargetedResultObject)result).RatioO16O18 = m_quantifier.GetAdjusted_I0_I4_YeoRatio(result.IsotopicProfile, result.Target.IsotopicProfile);
//((O16O18_TResult)result).RatioO16O18 = m_quantifier.Get_I0_I4_ratio(result.IsotopicProfile);
}