private void GenerateResults(
IEnumerable <HornTransformResults> transformResults,
ThrashV1Peak[] mspeakList,
ResultCollection resultList,
bool processingWasAborted,
int maxProcessingTimeMinutes)
{
ScanSet currentScanset;
var currentRun = resultList.Run as UIMFRun;
bool processingUIMF;
if (currentRun != null)
{
currentScanset = currentRun.CurrentIMSScanSet;
processingUIMF = true;
}
else
{
currentScanset = resultList.Run.CurrentScanSet;
processingUIMF = false;
}
currentScanset.NumIsotopicProfiles = 0; //reset to 0;
foreach (var hornResult in transformResults)
{
var result = resultList.CreateIsosResult();
var profile = new IsotopicProfile
{
AverageMass = hornResult.AverageMw,
ChargeState = hornResult.ChargeState,
MonoIsotopicMass = hornResult.MonoMw,
Score = hornResult.Fit,
ScoreCountBasis = hornResult.FitCountBasis,
MostAbundantIsotopeMass = hornResult.MostIntenseMw
};
GetIsotopicProfile(hornResult.IsotopePeakIndices, mspeakList, ref profile);
profile.IntensityMostAbundant = (float)hornResult.Abundance;
profile.IntensityMostAbundantTheor = (float)hornResult.Abundance;
if (NumPeaksUsedInAbundance == 1) // fyi... this is typical
{
result.IntensityAggregate = profile.IntensityMostAbundant;
}
else
{
result.IntensityAggregate = SumPeaks(profile, hornResult.Abundance);
}
profile.MonoPlusTwoAbundance = profile.GetMonoPlusTwoAbundance();
profile.MonoPeakMZ = profile.GetMZ();
result.IsotopicProfile = profile;
AddDeconResult(resultList, result, DeconResultComboMode.simplyAddIt);
//resultList.ResultList.Add(result);
currentScanset.NumIsotopicProfiles++;
}
if (!processingWasAborted)
{
return;
}
string messageBase;
if (processingUIMF)
{
// LC-IMS-MS dataset
if (currentScanset.GetScanCount() <= 1)
{
messageBase = string.Format("Aborted processing of frame {0}, IMS scan {1}",
currentScanset.PrimaryScanNumber,
currentScanset.getLowestScanNumber());
}
else
{
messageBase = string.Format("Aborted processing of frame {0}, IMS scans {1}-{2}",
currentScanset.PrimaryScanNumber,
currentScanset.getLowestScanNumber(),
currentScanset.getHighestScanNumber());
}
}
else
{
// LC-MS dataset
if (currentScanset.GetScanCount() <= 1)
{
messageBase = string.Format("Aborted processing of scan {0}",
currentScanset.getLowestScanNumber());
}
else
{
messageBase = string.Format("Aborted processing of summed scans {0}-{1}",
currentScanset.getLowestScanNumber(),
currentScanset.getHighestScanNumber());
}
}
Console.WriteLine("{0}; runtime exceeded {1} minutes. IsotopicProfileCount={2}",
messageBase,
maxProcessingTimeMinutes,
currentScanset.NumIsotopicProfiles);
}