PROCESSING 1H-NMR SPECTRAL DATA

摘要

A computer-implemented method of processing 1H-NMR spectral data is disclosed. The method comprises receiving 1H-NMR spectral data (14) for a sample or set of samples, performing a Fourier transform of the 1H-NMR spectral data to obtain Fourier-transformed spectral data (43), first differentiating the imaginary part of the Fourier-transformed spectral data or processed Fourier-transformed spectral data obtained from the Fourier-transformed spectral data to obtain a first derivative (44) and storing the first derivative in storage.