The Cramér-Rao lower bounds (CRBs) are the lowest possible standard deviations of all unbiased model parameter estimates obtained from the data. Consequently they give insight into the potential performance of quantitation estimators. Using analytical CRB expressions for spectral parameters of singlets and doublets in noise, one is able to judge the precision as a function of spectral and experimental parameters. We point out the usefulness of these expressions for experimental design. The influence of constraints (chemical prior knowledge) on spectral parameters of the peaks of doublets is demonstrated and the inherent benefits for quantitation are shown.

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Analytic expressions of errors on parameter estimates were derived, enabling prediction of the benefit of prior knowledge on quantitation results. These formulae allow us to state, for a given noise level, if the quantitation of strongly overlapping peaks such as adenosine triphosphate multiplets can be performed successfully.