About the reliability, efficiency, and meaning of the error estimates of a LAOCOON3-type NMR analysis system

1977

Abstract The statistical error estimates of a LAOCOON3-type system are tested. The analyzabilities of a spectrum and spectral parameters are described by a new measure. The variation in the uncertainties of the parameters can be explained by correlation coefficients. According to the calculations made, the error estimates are normally quite reliable if the accuracy of the observed spectrum is known. In some cases the Newton-Raphson type of iteration does not converge or the confidence limits of the parameters are enormous or both; an example is discussed. It seems clear that one cannot avoid differing uncertainties of the parameters by changing the method of analysis, or that one can avoid …