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Analysis of 2D NMR relaxation data using Chisholm approximations
- Source :
- Journal of Magnetic Resonance. 281:66-74
- Publication Year :
- 2017
- Publisher :
- Elsevier BV, 2017.
-
Abstract
- To analyze 2D NMR relaxation data based on a discrete delta-like relaxation map we extended the Pade-Laplace method to two dimensions. We approximate the forward Laplace image of the time domain signal by a Chisholm approximation, i.e. a rational polynomial in two dimensions. The poles and residues of this approximation correspond to the relaxation rates and weighting factors of the underlying relaxation map. In this work we explain the principle ideas of our algorithm and demonstrate its applicability. Therefore we compare the inversion results of the Chisholm approximation and Tikhonov regularization method as a function of SNR when the investigated signal is based on a given discrete relaxation map. Our algorithm proved to be reliable for SNRs larger than 50 and is able to compete with the Tikhonov regularization method. Furthermore we show that our method is also able to detect the simulated relaxation compartments of narrow Gaussian distributions with widths less or equal than 0.05s-1. Finally we investigate the resolution limit with experimental data. For a SNR of 750 the Chisholm approximation method was able to resolve two relaxation compartments in 8 of 10 cases when both compartments differ by a factor of 1.7.
- Subjects :
- Physics
Nuclear and High Energy Physics
Laplace inversion
Laplace transform
Gaussian
Biophysics
Rational polynomial
010402 general chemistry
Condensed Matter Physics
01 natural sciences
Biochemistry
0104 chemical sciences
Weighting
Tikhonov regularization
symbols.namesake
0103 physical sciences
symbols
Statistical physics
Time domain
010306 general physics
Two-dimensional nuclear magnetic resonance spectroscopy
Subjects
Details
- ISSN :
- 10907807
- Volume :
- 281
- Database :
- OpenAIRE
- Journal :
- Journal of Magnetic Resonance
- Accession number :
- edsair.doi.dedup.....c3c888f04edc1dc0c4cd028ede9009e3