public static IEnumerable <RegressionOption> All(SrmDocument document)
{
yield return(new RegressionOption(Resources.RegressionOption_All_Fixed_points));
var docPeptides = new Dictionary <Target, PeptideDocNode>();
foreach (var nodePep in document.Peptides.Where(nodePep => nodePep.PercentileMeasuredRetentionTime.HasValue && !nodePep.IsDecoy))
{
if (!docPeptides.ContainsKey(nodePep.ModifiedTarget))
{
docPeptides[nodePep.ModifiedTarget] = nodePep;
}
}
foreach (var standard in Settings.Default.IrtStandardList.Where(standard => !ReferenceEquals(standard, IrtStandard.EMPTY)))
{
var pepMatches = new List <Tuple <DbIrtPeptide, PeptideDocNode> >();
foreach (var pep in standard.Peptides)
{
if (docPeptides.TryGetValue(pep.GetNormalizedModifiedSequence(), out var nodePep))
{
pepMatches.Add(Tuple.Create(pep, nodePep));
}
}
if (RCalcIrt.TryGetRegressionLine(
pepMatches.Select(pep => (double)pep.Item2.PercentileMeasuredRetentionTime.Value).ToList(),
pepMatches.Select(pep => pep.Item1.Irt).ToList(),
RCalcIrt.MinStandardCount(standard.Peptides.Count), out var regressionLine))
{
yield return(new RegressionOption(standard.Name, regressionLine, pepMatches, null, false, false));
}
}
}
