Ejemplo n.º 1
0
        public SipperQuantifier()
        {
            ChromToleranceInPPM = 25;
            NumPointsInSmoother = 7;
            MinimumRelativeIntensityForChromCorr = 0.0001;

            _chromatogramCorrelatorTask = new ChromatogramCorrelator(NumPointsInSmoother, MinimumRelativeIntensityForChromCorr,
                                                                     (int)ChromToleranceInPPM);

            _labelingDistributionCalculator = new LabelingDistributionCalculator();
            _partialLabelingQuantifier      = new PartialLabelingQuantifier("C", 12, 13)
            {
                MaxLabelAmount        = 15,
                StepAmountForIterator = 0.25,
                NumLeftZeroPads       = 1,
                NumRightZeroPads      = 1,
                IsTheoreticalTrimmedDownToObserved = true
            };

            IsChromatogramCorrelationPerformed   = true;
            MaximumFitScoreForFurtherProcessing  = 0.50;
            MinimumRatioAreaForFurtherProcessing = 5;

            MinimumRSquaredValForQuant = 0.75;

            ChromatogramRSquaredVals = new List <double>();
            RatioVals = new XYData();

            FitScoreData = new Dictionary <decimal, double>();
        }
Ejemplo n.º 2
0
        public SipperQuantifierOld()
        {
            IsChromatogramCorrelationPerformed   = true;
            MaximumFitScoreForFurtherProcessing  = 0.50;
            MinimumRatioAreaForFurtherProcessing = 5;

            MinimumRSquaredValForQuant = 0.75;

            MinimumRelativeIntensityForChromCorr = 0.0001;
            ChromToleranceInPPM = 25;

            const int numPointsInSmoother = 5;

            _chromatogramCorrelatorTask = new ChromatogramCorrelator(numPointsInSmoother, MinimumRelativeIntensityForChromCorr, (int)ChromToleranceInPPM);



            ChromatogramRSquaredVals = new List <double>();
            RatioLogVals             = new XYData();
            RatioVals = new XYData();

            _labelingDistributionCalculator                  = new LabelingDistributionCalculator();
            _partialLabelingQuantifier                       = new PartialLabelingQuantifier("C", 12, 13);
            _partialLabelingQuantifier.MaxLabelAmount        = 15;
            _partialLabelingQuantifier.StepAmountForIterator = 0.25;
        }