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>();
}
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;
}