Abstract

Recently ( J. Magn. Reson. 85, 111–131, 1989) we described a method for the convenient measurement of long-range heteronuclear coupling constants using a combination of a proton-detected two-dimensional shift-correlation spectrum and a simple data-fitting procedure. This method enables accurate values of the long-range couplings to be extracted from the highly distorted cross peaks in the two-dimensional spectrum. In this paper the reliability of the method is investigated to establish likely error limits on the values of the couplings. The effects of strong coupling, isotopic labeling, phase variations, thermal noise, and t 1 noise are all considered. It is concluded that the procedure is robust with respect to deviations of the spectra from the ideal and, for typical experimental data, yields values of coupling constants which have errors of less than 10%.

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