public QuantificationResult GetQuantificationResult(int replicateIndex)
{
QuantificationResult result = new QuantificationResult();
CalibrationCurve calibrationCurve = GetCalibrationCurve();
result = result.ChangeNormalizedArea(GetNormalizedPeakArea(replicateIndex));
if (HasExternalStandards() || HasInternalStandardConcentration())
{
double?calculatedConcentration = GetCalculatedConcentration(calibrationCurve, replicateIndex);
result = result.ChangeCalculatedConcentration(calculatedConcentration);
double?expectedConcentration = GetPeptideConcentration(GetChromatogramSet(replicateIndex));
result = result.ChangeAccuracy(calculatedConcentration / expectedConcentration);
result = result.ChangeUnits(SrmSettings.PeptideSettings.Quantification.Units);
}
return(result);
}
public QuantificationResult GetPrecursorQuantificationResult(int replicateIndex, TransitionGroupDocNode transitionGroupDocNode)
{
QuantificationResult result = new QuantificationResult();
var calibrationPoint = new CalibrationPoint(replicateIndex, transitionGroupDocNode.LabelType);
CalibrationCurve calibrationCurve = GetCalibrationCurve();
result = result.ChangeNormalizedArea(GetNormalizedPeakArea(calibrationPoint));
if (HasExternalStandards() || HasInternalStandardConcentration())
{
double?calculatedConcentration = GetCalculatedConcentration(calibrationCurve, calibrationPoint);
result = result.ChangeCalculatedConcentration(calculatedConcentration);
double?expectedConcentration = transitionGroupDocNode.PrecursorConcentration;
result = result.ChangeAccuracy(calculatedConcentration / expectedConcentration);
result = result.ChangeUnits(SrmSettings.PeptideSettings.Quantification.Units);
}
return(result);
}
public QuantificationResult GetPeptideQuantificationResult(int replicateIndex)
{
CalibrationCurve calibrationCurve = GetCalibrationCurve();
QuantificationResult result = new QuantificationResult();
result = result.ChangeNormalizedArea(GetNormalizedPeakArea(new CalibrationPoint(replicateIndex, null)));
if (HasExternalStandards() || HasInternalStandardConcentration())
{
double?calculatedConcentration = GetCalculatedConcentration(calibrationCurve, new CalibrationPoint(replicateIndex, null));
result = result.ChangeCalculatedConcentration(calculatedConcentration);
double?expectedConcentration = GetPeptideConcentration(replicateIndex);
result = result.ChangeAccuracy(calculatedConcentration / expectedConcentration);
result = result.ChangeUnits(QuantificationSettings.Units);
}
return(result);
}
public QuantificationResult GetQuantificationResult(int replicateIndex)
{
QuantificationResult result = new QuantificationResult();
CalibrationCurve calibrationCurve = GetCalibrationCurve();
result = result.ChangeNormalizedArea(GetNormalizedPeakArea(replicateIndex));
if (HasExternalStandards() || HasInternalStandardConcentration())
{
double? calculatedConcentration = GetCalculatedConcentration(calibrationCurve, replicateIndex);
result = result.ChangeCalculatedConcentration(calculatedConcentration);
double? expectedConcentration = GetPeptideConcentration(SrmSettings.MeasuredResults.Chromatograms[replicateIndex]);
result = result.ChangeAccuracy(calculatedConcentration / expectedConcentration);
result = result.ChangeUnits(SrmSettings.PeptideSettings.Quantification.Units);
}
return result;
}