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Schlagwörter:
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Zusammenfassung:
A generally applicable method for an automated integration of n-dimensional resonance peaks (n ≥ 2) is presented. It is based on an optimized iterative segmentation method combined with a region-growing algorithm and it is independent of the experimental lineshape. The procedure is computationally very efficient and has actually been implemented for two-, three-, and four-dimensional NMR spectra. For isolated peaks, the accuracy of the method is limited only by digital resolution and signal-to-noise ratio. Even for strongly overlapping peaks, the individual volumes can be determined with high accuracy, which is sufficient for all practical applications.
