libpappsomspp
Library for mass spectrometry
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double getYfromX(double score) const
double getCoefficientOfDetermination(const Trace &data) const
get Coefficient of determination (R2)
tries to keep as much as possible monoisotopes, removing any possible C13 peaks
double getNrmsd(const Trace &data) const
get Normalized Root-Mean-Square Deviation
A simple container of DataPoint instances.
double getRmsd(const Trace &data) const
get Root-Mean-Square Deviation
double getIntercept() const
LinearRegression(const Trace &data)