private static PointPair CreatePointPair(int iGroup,
ICollection <double> listTimes,
IEnumerable <double> listStarts,
IEnumerable <double> listEnds,
IEnumerable <double> listFwhms,
ref double maxY,
ref double minY)
{
if (listTimes.Count == 0)
{
return(RTPointPairMissing(iGroup));
}
var statTimes = new Statistics(listTimes);
var statStarts = new Statistics(listStarts);
var statEnds = new Statistics(listEnds);
var statFwhms = new Statistics(listFwhms);
double endY = statEnds.Mean();
double startY = statStarts.Mean();
var pointPair = HiLowMiddleErrorBarItem.MakePointPair(iGroup,
endY, startY, statTimes.Mean(), statFwhms.Mean());
maxY = Math.Max(maxY, endY);
minY = Math.Min(minY, startY);
return(pointPair);
}
private PointPair CalculatePointPair <TChromInfoData>(int iResult, IEnumerable <TChromInfoData> chromInfoDatas, Func <TChromInfoData, RetentionTimeValues?> getRetentionTimeValues)
where TChromInfoData : ChromInfoData
{
var startTimes = new List <double>();
var endTimes = new List <double>();
var retentionTimes = new List <double>();
var fwhms = new List <double>();
foreach (var chromInfoData in chromInfoDatas)
{
var retentionTimeValues = getRetentionTimeValues(chromInfoData).GetValueOrDefault();
IRegressionFunction regressionFunction = null;
if (null != RetentionTimeTransform.RtTransformOp)
{
RetentionTimeTransform.RtTransformOp.TryGetRegressionFunction(chromInfoData.ChromFileInfo.FileId, out regressionFunction);
}
if (regressionFunction == null)
{
startTimes.Add(retentionTimeValues.StartRetentionTime);
endTimes.Add(retentionTimeValues.EndRetentionTime);
retentionTimes.Add(retentionTimeValues.RetentionTime);
fwhms.Add(retentionTimeValues.Fwhm ?? 0);
}
else
{
startTimes.Add(regressionFunction.GetY(retentionTimeValues.StartRetentionTime));
endTimes.Add(regressionFunction.GetY(retentionTimeValues.EndRetentionTime));
retentionTimes.Add(regressionFunction.GetY(retentionTimeValues.RetentionTime));
if (retentionTimeValues.Fwhm.HasValue)
{
fwhms.Add(regressionFunction.GetY(retentionTimeValues.RetentionTime +
retentionTimeValues.Fwhm.Value / 2)
-
regressionFunction.GetY(retentionTimeValues.RetentionTime -
retentionTimeValues.Fwhm.Value / 2));
}
else
{
fwhms.Add(0);
}
}
}
if (RTPeptideValue.All == RTPeptideGraphPane.RTValue)
{
var point = HiLowMiddleErrorBarItem.MakePointPair(iResult,
new Statistics(endTimes).Mean(),
new Statistics(startTimes).Mean(),
new Statistics(retentionTimes).Mean(),
new Statistics(fwhms).Mean());
return(point.IsInvalid ? PointPairMissing(iResult) : point);
}
IEnumerable <double> values;
switch (RTPeptideGraphPane.RTValue)
{
case RTPeptideValue.FWB:
values = startTimes.Select((startTime, index) => endTimes[index] - startTime);
break;
case RTPeptideValue.FWHM:
values = fwhms;
break;
default:
values = retentionTimes;
break;
}
return(RetentionTimeTransform.AggregateOp.MakeBarValue(iResult, values));
}
public static PointPair RTPointPairMissing(int xValue)
{
return(HiLowMiddleErrorBarItem.MakePointPair(xValue,
PointPairBase.Missing, PointPairBase.Missing, PointPairBase.Missing, 0));
}