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ANAFOR: Application of a Restricted Linear Least Squares Procedure to NMR Data Processing

โœ Scribed by Philippe R Bodart; Jean Paul Amoureux; Franis Taulelle

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
272 KB
Volume
21
Category
Article
ISSN
0926-2040

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โœฆ Synopsis

Experimental data collection time in multidimensional nuclear magnetic resonance experiments can be significantly decreased if the lineshapes of all the components of one of the ID summations of the spectrum are known. When this condition is fulfilled, a simple linear least squares fit of the time-domain signal taking the lineshapes into account not only allows saving time in data collection, but also improves sensitivity and resolution. The reliability of the proposed procedure is carefully addressed in the particular case of Lorentzian lines. This strategy applied to a 3Q-REDOR experiment reduced experimental time by a factor of 6.

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Performance and robustness of a newly proposed approach (based on the Radial Basis Function and PLS2) in the non-linear pattern recognition problem is studied and compared with those of Radial Basis Function Network (RBFN) and multilayer feed-forward network (MLP). An example concerns classification