Esempio n. 1
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        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);
        }
Esempio n. 2
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        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);
        }
Esempio n. 3
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        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;
        }