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Example 1 with RTs

use of net.sf.mzmine.modules.peaklistmethods.alignment.ransac.RTs in project mzmine2 by mzmine.

the class RegressionInfo method getPolynomialFunction.

private PolynomialFunction getPolynomialFunction() {
    Collections.sort(data, new RTs());
    PolynomialFitter fitter = new PolynomialFitter(3, new GaussNewtonOptimizer(true));
    for (RTs rt : data) {
        fitter.addObservedPoint(1, rt.RT, rt.RT2);
    }
    try {
        return fitter.fit();
    } catch (Exception ex) {
        return null;
    }
}
Also used : RTs(net.sf.mzmine.modules.peaklistmethods.alignment.ransac.RTs) PolynomialFitter(org.apache.commons.math.optimization.fitting.PolynomialFitter) GaussNewtonOptimizer(org.apache.commons.math.optimization.general.GaussNewtonOptimizer)

Aggregations

RTs (net.sf.mzmine.modules.peaklistmethods.alignment.ransac.RTs)1 PolynomialFitter (org.apache.commons.math.optimization.fitting.PolynomialFitter)1 GaussNewtonOptimizer (org.apache.commons.math.optimization.general.GaussNewtonOptimizer)1