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