Аннотация:The global optimization by the method of simulated annealing is proposed for the total lineshape
analysis of high-resolution NMR spectra. The algorithm has been verified on the test tasks of
simulated strongly coupled four-spin systems [1], and was successfully used for analysis of
experimental NMR spectra of L-proline. In our opinion, the simulated annealing is superior to the
existing algorithms [2, 3], especially, in case of analysis of highly complicated NMR spectra, for
which classical procedures often end in a local minimum. Essentially, that our method does not
require any estimation of J-couplings initial values, which makes it practically applicable for
automated analysis of NMR spectra.