A PC program for automatic analysis of NMR spectrum series

P-31 nuclear magnetic resonance (NMR) spectroscopy enables us to study intracellular energy metabolism noninvasively. The present work concerns the analysis of a series of P-31 NMR spectra on human muscle during exercise. The spectra contain signals corresponding to certain metabolites in the sample and the aim is to identify and quantify these signals. We have written a PC program to perform this task automatically. With the program the results can be achieved substantially faster compared to operating with the spectrometer software. The methods implemented in the program and the functions of the program itself are described. Although we have focused on the P-31 NMR spectrum series, the program can also be applied to other liquid state NMR spectra. (C) 1997 Elsevier Science Ireland Ltd.