protected override double?GetValue(TransitionGroupChromInfo chromInfo)
{
var retentionTimeValues = RetentionTimeValues.GetValues(chromInfo);
if (!retentionTimeValues.HasValue)
{
return(null);
}
retentionTimeValues = ScaleRetentionTimeValues(chromInfo.FileId, retentionTimeValues.Value);
if (!retentionTimeValues.HasValue)
{
return(null);
}
switch (RTValue)
{
case RTPeptideValue.Retention:
return(retentionTimeValues.Value.RetentionTime);
case RTPeptideValue.FWHM:
return(retentionTimeValues.Value.Fwhm);
case RTPeptideValue.FWB:
return(retentionTimeValues.Value.Fwb);
}
return(null);
}
protected override double GetValue(TransitionChromInfo chromInfo)
{
var retentionTimeValues = ScaleRetentionTimeValues(chromInfo.FileId, RetentionTimeValues.FromTransitionChromInfo(chromInfo));
if (retentionTimeValues == null)
{
return(0);
}
switch (RTValue)
{
case RTPeptideValue.Retention:
return(retentionTimeValues.RetentionTime);
case RTPeptideValue.FWHM:
return(retentionTimeValues.Fwhm ?? 0);
case RTPeptideValue.FWB:
return(retentionTimeValues.Fwb);
}
return(0);
}
protected override PointPair CreatePointPair(int iGroup, TransitionDocNode nodeTran, ref double maxY, ref double minY, int?resultIndex)
{
if (RTValue != RTPeptideValue.All)
{
return(base.CreatePointPair(iGroup, nodeTran, ref maxY, ref minY, resultIndex));
}
if (!nodeTran.HasResults)
{
return(RTPointPairMissing(iGroup));
}
var listTimes = new List <double>();
var listStarts = new List <double>();
var listEnds = new List <double>();
var listFwhms = new List <double>();
foreach (var chromInfo in nodeTran.GetChromInfos(resultIndex))
{
if (chromInfo.OptimizationStep == 0 && !chromInfo.IsEmpty)
{
var retentionTimeValues = ScaleRetentionTimeValues(chromInfo.FileId, RetentionTimeValues.GetValues(chromInfo));
if (retentionTimeValues.HasValue)
{
listTimes.Add(retentionTimeValues.Value.RetentionTime);
listStarts.Add(retentionTimeValues.Value.StartRetentionTime);
listEnds.Add(retentionTimeValues.Value.EndRetentionTime);
listFwhms.Add(retentionTimeValues.Value.Fwhm ?? 0);
}
}
}
return(CreatePointPair(iGroup, listTimes, listStarts, listEnds, listFwhms, ref maxY, ref minY));
}
public void FinishedAddingChromatograms(double bestPeakStartTime, double bestPeakEndTime, bool forceZoom)
{
var retentionTimeValues = new RetentionTimeValues((bestPeakStartTime + bestPeakEndTime) / 2, bestPeakStartTime, bestPeakEndTime, 0, null);
FinishedAddingChromatograms(new[] { retentionTimeValues }, forceZoom);
}
protected RetentionTimeValues ScaleRetentionTimeValues(ChromFileInfoId chromFileInfoId, RetentionTimeValues retentionTimeValues)
{
if (retentionTimeValues == null)
{
return(null);
}
if (null == RetentionTimeTransformOp)
{
return(retentionTimeValues);
}
RegressionLine regressionFunction;
if (!RetentionTimeTransformOp.TryGetRegressionFunction(chromFileInfoId, out regressionFunction))
{
return(null);
}
return(retentionTimeValues.Scale(regressionFunction));
}
public override RetentionTimeValues GetRetentionTimes()
{
return(RetentionTimeValues.FromTransitionGroupChromInfo(ChromInfo));
}
public override RetentionTimeValues?GetRetentionTimes()
{
return(RetentionTimeValues.GetValues(ChromInfo));
}
