A NEW N-CHANNEL MAXIMUM-ENTROPY METHOD IN NMR FOR AUTOMATIC RECONSTRUCTION OF DECOUPLED SPECTRA AND J-COUPLING DETERMINATION

A new N-channel (or multichannel) deconvolution method of 1D and 2D NM R spectra is presented based on the Maximum Entropy method. In the gen eral case of spectra exhibiting several lines of various fine structur es, the method allows simultaneous deconvolution of all lines. While d econvolution is performed, determination of the values of the coupling constants is possible. Reconstruction of ''decoupled'' 1D and 2D spec tra is also performed in a fully automated approach. The efficiency of the method is illustrated on experimental 1D and 2D spectra. The meth od has been developed in the GIFA software, a complete package for pro cessing of NMR data available from the authors.