Abstract
We investigate systematic digitization errors in the estimation of peak areas in one-dimensional, and peak volumes in two-dimensional NMR spectra. These errors are due to the availability of data at discrete frequencies only, rather than as a continuous function of frequency. Under unfavorable but not unreasonable experimental conditions, these errors in one-dimensional experiments can be as large as 100%. With typical experimental parameters errors due to digitization are estimated to be around 10%. In two-dimensional experiments the corresponding errors in peak-volume estimates due to limited digital resolution can easily exceed 100%.
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