Application of Bertocco-Yoshida interpolated DFT algorithm to NMR data analysis

摘要

The paper presents a new application of the Bertocco-Yoshida order 1 (BY1) interpolated discrete Fourier transform (IpDFT) with leakage correction (LC) to analysis of nuclear magnetic resonance (NMR) signals. It is shown how the BY-LC IpDFT algorithm can be used for NMR spectrum quantification, i.e. 1) estimation of frequencies, damping factors (relaxation times), amplitudes and phases of signals components of interest, 2) phase correction of the whole spectrum or its selected fragment, 3) fast calculation of a reliable initial starting point for advanced optimization-based phase correction algorithms. In the paper synthetic NMR-like and real NMR signals are analyzed as examples.