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); }