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© Research
Publication : Journal of magnetic resonance (San Diego, Calif. : 1997)

On the reliability of NMR relaxation data analyses: a Markov Chain Monte Carlo approach

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Journal of magnetic resonance (San Diego, Calif. : 1997) - 26 Jul 2014

Abergel D, Volpato A, Coutant EP, Polimeno A

Link to Pubmed [PMID] – 25117152

J. Magn. Reson. 2014 Sep;246:94-103

The analysis of NMR relaxation data is revisited along the lines of a Bayesian approach. Using a Markov Chain Monte Carlo strategy of data fitting, we investigate conditions under which relaxation data can be effectively interpreted in terms of internal dynamics. The limitations to the extraction of kinetic parameters that characterize internal dynamics are analyzed, and we show that extracting characteristic time scales shorter than a few tens of ps is very unlikely. However, using MCMC methods, reliable estimates of the marginal probability distributions and estimators (average, standard deviations, etc.) can still be obtained for subsets of the model parameters. Thus, unlike more conventional strategies of data analysis, the method avoids a model selection process. In addition, it indicates what information may be extracted from the data, but also what cannot.

http://www.ncbi.nlm.nih.gov/pubmed/25117152