public bool CalcRegressionWith(IRetentionTimeProvider retentionTimes, IEnumerable <DbIrtPeptide> standardPeptideList, DbIrtPeptide[] items)
{
if (items.Any())
{
// Attempt to get a regression based on shared peptides
var calculator = new CurrentCalculator(standardPeptideList, items);
var peptidesTimes = retentionTimes.PeptideRetentionTimes.ToArray();
var regression = RetentionTimeRegression.FindThreshold(RCalcIrt.MIN_IRT_TO_TIME_CORRELATION,
RetentionTimeRegression.ThresholdPrecision,
peptidesTimes,
new MeasuredRetentionTime[0],
peptidesTimes, null,
calculator,
RegressionMethodRT.linear,
() => false);
var startingCount = peptidesTimes.Length;
var regressionCount = regression != null ? regression.PeptideTimes.Count : 0;
if (regression != null && RCalcIrt.IsAcceptableStandardCount(startingCount, regressionCount))
{
// Finally must recalculate the regression, because it is transposed from what
// we want.
var statTimes = new Statistics(regression.PeptideTimes.Select(pt => pt.RetentionTime));
var statIrts = new Statistics(regression.PeptideTimes.Select(pt =>
calculator.ScoreSequence(pt.PeptideSequence) ?? calculator.UnknownScore));
RegressionRefined = new RegressionLine(statIrts.Slope(statTimes), statIrts.Intercept(statTimes));
RegressionSuccess = true;
return(true);
}
}
return(false);
}
public override IEnumerable <Target> ChooseRegressionPeptides(IEnumerable <Target> peptides, out int minCount)
{
var returnStandard = peptides.Where(_dictStandards.ContainsKey).ToArray();
var returnCount = returnStandard.Length;
var standardsCount = _dictStandards.Count;
if (!RCalcIrt.IsAcceptableStandardCount(standardsCount, returnCount))
{
throw new IncompleteStandardException(this);
}
minCount = RCalcIrt.MinStandardCount(standardsCount);
return(returnStandard);
}
