private IqResult SelectBestChargeStateChildResult(IqResult result)
{
var filteredChargeStateResults = result.ChildResults().Where(p => p.FavoriteChild != null).ToList();
if (filteredChargeStateResults.Count == 0)
{
return(null);
}
if (filteredChargeStateResults.Count == 1)
{
return(filteredChargeStateResults.First());
}
//now to deal with the tough issue of multiple charge states having a possible results.
var filter2 = filteredChargeStateResults.Where(p => p.CorrelationData.CorrelationDataItems.First().CorrelationRSquaredVal > 0.7).ToList();
if (filter2.Count == 0)
{
filter2 = filteredChargeStateResults.Where(p => p.CorrelationData.CorrelationDataItems.First().CorrelationRSquaredVal > 0.5).ToList();
}
if (filter2.Count == 0)
{
filter2 = filteredChargeStateResults.Where(p => p.CorrelationData.CorrelationDataItems.First().CorrelationRSquaredVal > 0.3).ToList();
}
if (filter2.Count == 0)
{
//correlation values are no good. Now will sort by fit score.
filter2 = filteredChargeStateResults.OrderBy(p => p.FitScore).Take(1).ToList(); //sort by fit score let the first one be selected
}
if (filter2.Count == 1)
{
return(filter2.First());
}
else if (filter2.Count > 1)
{
//if we reached here, there are multiple charge state results with good correlation scores. Take the one of highest intensity.
return(filter2.OrderByDescending(p => p.Abundance).First());
}
return(null);
}
public List <IqResult> FlattenOutResultTree(IqResult iqResult)
{
var flattenedResults = new List <IqResult>();
if (iqResult.HasChildren())
{
var childresults = iqResult.ChildResults();
foreach (var childResult in childresults)
{
var moreResults = FlattenOutResultTree(childResult);
flattenedResults.AddRange(moreResults);
}
}
flattenedResults.Add(iqResult);
return(flattenedResults);
}
