Exponential convergence rate (the spectral convergence) of the fast Padé transform for exact quantification in magnetic resonance spectroscopy.

This study deals with the most challenging numerical aspect for solving the quantification problem in magnetic resonance spectroscopy (MRS). The primary goal is to investigate whether it could be feasible to carry out a rigorous computation within finite arithmetics to reconstruct exactly all the machine accurate input spectral parameters of every resonance from a synthesized noiseless time signal. We also consider simulated time signals embedded in random Gaussian distributed noise of the level comparable to the weakest resonances in the corresponding spectrum. The present choice for this high-resolution task in MRS is the fast Padé transform (FPT). All the sought spectral parameters (complex frequencies and amplitudes) can unequivocally be reconstructed from a given input time signal by using the FPT. Moreover, the present computations demonstrate that the FPT can achieve the spectral convergence, which represents the exponential convergence rate as a function of the signal length for a fixed bandwidth. Such an extraordinary feature equips the FPT with the exemplary high-resolution capabilities that are, in fact, theoretically unlimited. This is illustrated in the present study by the exact reconstruction (within machine accuracy) of all the spectral parameters from an input time signal comprised of 25 harmonics, i.e. complex damped exponentials, including those for tightly overlapped and nearly degenerate resonances whose chemical shifts differ by an exceedingly small fraction of only 10(-11) ppm. Moreover, without exhausting even a quarter of the full signal length, the FPT is shown to retrieve exactly all the input spectral parameters defined with 12 digits of accuracy. Specifically, we demonstrate that when the FPT is close to the convergence region, an unprecedented phase transition occurs, since literally a few additional signal points are sufficient to reach the full 12 digit accuracy with the exponentially fast rate of convergence. This is the critical proof-of-principle for the high-resolution power of the FPT for machine accurate input data. Furthermore, it is proven that the FPT is also a highly reliable method for quantifying noise-corrupted time signals reminiscent of those encoded via MRS in clinical neuro-diagnostics.