NMR Data Analysis: A Time-Domain Parametric Approach Using Adaptive Subband Decomposition

摘要

This paper presents a fast time-domain data analysis method for one- and two-dimensional Nuclear Magnetic Resonance (NMR) spectroscopy, assuming Lorentzian lineshapes, based on an adaptive spectral decomposition. The latter is achieved through successive filtering and decimation steps ending up in a decomposition tree. At each node of the tree, the parameters of the corresponding subband signal are estimated using some high-resolution method. The resulting estimation error is then processed through a stopping criterion which allows one to decide whether the decimation should be carried on or not. Thus the method leads to an automated selection of the decimation level and consequently to a signal-adaptive decomposition. Moreover, it enables one to reduce the processing time and makes the choice of usual free parameters easier, comparatively to the case where the whole signal is processed at once. The efficiency of the method is demonstrated using 1-D and 2-D 13C NMR signals.