Table 1.

A code Fragment example of OPTESIM.

%Load experimental spectrum spectrum = filterRaw(filename, filter_options);

%Define a model of one deuterium and one proton with a %product rule optmodel = eseOptModel({’H2’,’H1’}, ’1*2’);

%Set the nulcear parameters for Nucleus 1 optmodel = changeOptModelValue(optmodel,...  ’eeqQ’, 1, 0.2, ’eta’, 1, 0.1);

%Set the nulcear parameters for Nucleus 2 optmodel = changeOptModelValue(optmodel,...  ’eeqQ’, 2, 0.2, ’eta’, 2, 0.1);

%Register variables for Optimization

%Parameter, nucleus number, index, min value, max value optmodel = registerOptModelVariable(optmodel,...  ’Aiso’, 1, 1, -10, 10, ...  ’r’ , 1, 2, 0, 10, ...  ’Aiso’, 2, 3, -10, 10, ...  ’r’ , 2, 4, 0, 10);

%Set initial values for %Aiso1, r1, Aiso2, r2, respectively x = [6.5, 2.5, 1.5, 2.5];

%Use simplex methods for optimization options = optimset(’OutputFcn’, @esePlot, ’Display’, ’iter’); x_opted = fminsearch(@eseOptObjective, x, options);