private static void writeStandardInfoToResult(TargetedResult tr, MassTagResultBase result)
{
if (result.MassTag == null)
{
throw new ArgumentNullException("Cannot create result object. MassTag is null.");
}
if (result.Run == null)
{
throw new ArgumentNullException("Cannot create result object. Run is null.");
}
tr.DatasetName = result.Run.DatasetName;
tr.MassTagID = result.MassTag.ID;
tr.ChargeState = result.MassTag.ChargeState;
tr.IndexOfMostAbundantPeak = result.IsotopicProfile == null ? (short)0 : (short)result.IsotopicProfile.getIndexOfMostIntensePeak();
tr.Intensity = result.IsotopicProfile == null ? 0f : (float)result.IsotopicProfile.IntensityAggregate;
tr.IntensityI0 = result.IsotopicProfile == null ? 0f : (float)result.IsotopicProfile.GetMonoAbundance();
tr.IntensityMostAbundantPeak = result.IsotopicProfile == null ? 0f : (float)result.IsotopicProfile.getMostIntensePeak().Height;
tr.IScore = (float)result.InterferenceScore;
tr.MonoMass = result.IsotopicProfile == null ? 0f: result.IsotopicProfile.MonoIsotopicMass;
tr.MonoMZ = result.IsotopicProfile == null ? 0f : result.IsotopicProfile.MonoPeakMZ;
tr.NET = (float)result.GetNET();
tr.NumChromPeaksWithinTol = result.NumChromPeaksWithinTolerance;
tr.FitScore = (float)result.Score;
tr.ScanLC = result.GetScanNum();
if (result.ChromPeakSelected != null)
{
double sigma = result.ChromPeakSelected.Width / 2.35;
tr.ScanLCStart = (int)Math.Round(result.ChromPeakSelected.XValue - sigma);
tr.ScanLCEnd = (int)Math.Round(result.ChromPeakSelected.XValue + sigma);
}
}
public void AddResults(List <MassTagResultBase> resultsToConvert)
{
foreach (var item in resultsToConvert)
{
TargetedResult result = ResultFactory.CreateTargetedResult(item);
this.Results.Add(result);
}
}
private static void addAdditionalInfo(TargetedResult tr, O16O18_TResult result)
{
O16O18TargetedResult r = (O16O18TargetedResult)tr;
r.IntensityI0 = getIntensityFromIso(result.IsotopicProfile, 0);
r.IntensityI2 = getIntensityFromIso(result.IsotopicProfile, 2);
r.IntensityI4 = getIntensityFromIso(result.IsotopicProfile, 4);
r.IntensityTheorI0 = getIntensityFromIso(result.MassTag.IsotopicProfile, 0);
r.IntensityTheorI2 = getIntensityFromIso(result.MassTag.IsotopicProfile, 2);
r.IntensityTheorI4 = getIntensityFromIso(result.MassTag.IsotopicProfile, 4);
r.IntensityI4Adjusted = result.IntensityI4Adjusted;
}
public void AddResult(MassTagResultBase resultToConvert)
{
TargetedResult result = ResultFactory.CreateTargetedResult(resultToConvert);
this.Results.Add(result);
}
private static void addAdditionalInfo(TargetedResult tr, N14N15_TResult n14N15_TResult)
{
throw new NotImplementedException();
}
private static void addAdditionalInfo(TargetedResult tr, MassTagResult massTagResult)
{
// no other info needed now
}
