protected override double?GetValue(TransitionGroupChromInfo chromInfo)
{
var retentionTimeValues = RetentionTimeValues.FromTransitionGroupChromInfo(chromInfo);
retentionTimeValues = ScaleRetentionTimeValues(chromInfo.FileId, retentionTimeValues);
if (retentionTimeValues == null)
{
return(null);
}
switch (RTValue)
{
case RTPeptideValue.Retention:
return(retentionTimeValues.RetentionTime);
case RTPeptideValue.FWHM:
return(retentionTimeValues.Fwhm);
case RTPeptideValue.FWB:
return(retentionTimeValues.Fwb);
}
return(null);
}
public override RetentionTimeValues GetRetentionTimes()
{
return(RetentionTimeValues.FromTransitionGroupChromInfo(ChromInfo));
}
protected override PointPair CreatePointPair(int iGroup, TransitionGroupDocNode nodeGroup, ref double maxY, ref double minY, int?resultIndex)
{
if (RTValue != RTPeptideValue.All)
{
return(base.CreatePointPair(iGroup, nodeGroup, ref maxY, ref minY, resultIndex));
}
if (!nodeGroup.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 nodeGroup.GetChromInfos(resultIndex))
{
if (chromInfo.OptimizationStep == 0)
{
var retentionTimeValues = ScaleRetentionTimeValues(chromInfo.FileId, RetentionTimeValues.FromTransitionGroupChromInfo(chromInfo));
if (retentionTimeValues == null)
{
continue;
}
listTimes.Add(retentionTimeValues.RetentionTime);
listStarts.Add(retentionTimeValues.StartRetentionTime);
listEnds.Add(retentionTimeValues.EndRetentionTime);
if (retentionTimeValues.Fwhm.HasValue)
{
listFwhms.Add(retentionTimeValues.Fwhm.Value);
}
}
}
return(CreatePointPair(iGroup, listTimes, listStarts, listEnds, listFwhms, ref maxY, ref minY));
}