new GaussNewtonOptimizer(true));
for (int i = 0; i < data.size(); i++) {
AlignStructMol point = data.get(i);
if (point.ransacMaybeInLiers) {
points.add(point);
fitter.addObservedPoint(1, point.RT, point.RT2);
}
}
try {
PolynomialFunction function = fitter.fit();
for (AlignStructMol point : data) {