Novel Data Evaluation Algorithms: 1D and 2D Resolution BoosterTM

by   aCarlos Cobas, aNikolay Larin, aIsaak Iglesias, aFelipe Seoane, and bStanislav Sykora
aMestrelab Research, Santiago de Compostela, Spain     bExtra Byte, Castano Primo, Italy

presented at 49th ENC Conference, Asilomar, CA (USA), March 9-14, 2008.

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We have developed a family of fast algorithms [1] which opens new avenues in NMR data processing and evaluation. This poster illustrates the results obtained with the Resolution BoosterTM - a member of the family which narrows and isolates spectral peaks in 1D and 2D spectra.

The Resolution BoosterTM operates on frequency domain data (either complete spectra or their cut-off sections) and exhibits a number of important advantages over more traditional resolution enhancement methods [2], such as better resolving power in overlapped multiplets, complete suppression of baseline drifts, high tolerance to experimental noise and very limited operator input. While it distorts relative intensities (broad lines get attenuated), it does so in a well defined manner which opens additional avenues of exploitation. Particularly pleasing is the fact that when RB is applied to magnitude data, the results are practically identical to those obtained with phased, real spectra. This is an additional advantage since routines like peak picking can now be carried out, if need be, directly on raw, un-phased data.

The 1D and 2D Resolution BoosterTM algorithm has been implemented [1] and is now being tested in practice. Further work on its optimization and on extensions to 3D and 4D spectra is in progress, but its present performance is already very remarkable.

Resolution BoosterTM references and links:

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