The inversion of two-dimensional NMR data is an ill-posed problem related to the numerical computation of the inverse Laplace transform. The Uniform Penalty (UPEN) algorithm (Borgia et al 1998 J. Magn. Reson. 132 65–77), defined for the inversion of one-dimensional NMR relaxation data, uses Tikhonov-like regularization and optional lower bound constraints in order to implement locally adapted regularization. In this paper, we analyze the reg- ularization properties of this approach. Moreover, we extend the one-dimen- sional UPEN algorithm to the two-dimensional case and present an efficient implementation based on the Newton Projection method (2DUPEN). Without any a-priori information on the noise norm, 2DUPEN automatically computes the locally adapted regularization parameters and the distribution of the unknown NMR parameters by using variable smoothing. Results of numerical experiments on simulated and real data are presented in order to illustrate the potential of the proposed method in reconstructing peaks and flat regions with the same accuracy.

Bortolotti, V., Brown, R.J.S., Fantazzini, P., Landi, G., Zama, F. (2017). Uniform Penalty inversion of two-dimensional NMR relaxation data. INVERSE PROBLEMS, 33(1), 1-19 [10.1088/1361-6420/33/1/015003].

Uniform Penalty inversion of two-dimensional NMR relaxation data

BORTOLOTTI, VILLIAM;FANTAZZINI, PAOLA;LANDI, GERMANA;ZAMA, FABIANA
2017

Abstract

The inversion of two-dimensional NMR data is an ill-posed problem related to the numerical computation of the inverse Laplace transform. The Uniform Penalty (UPEN) algorithm (Borgia et al 1998 J. Magn. Reson. 132 65–77), defined for the inversion of one-dimensional NMR relaxation data, uses Tikhonov-like regularization and optional lower bound constraints in order to implement locally adapted regularization. In this paper, we analyze the reg- ularization properties of this approach. Moreover, we extend the one-dimen- sional UPEN algorithm to the two-dimensional case and present an efficient implementation based on the Newton Projection method (2DUPEN). Without any a-priori information on the noise norm, 2DUPEN automatically computes the locally adapted regularization parameters and the distribution of the unknown NMR parameters by using variable smoothing. Results of numerical experiments on simulated and real data are presented in order to illustrate the potential of the proposed method in reconstructing peaks and flat regions with the same accuracy.
2017
Bortolotti, V., Brown, R.J.S., Fantazzini, P., Landi, G., Zama, F. (2017). Uniform Penalty inversion of two-dimensional NMR relaxation data. INVERSE PROBLEMS, 33(1), 1-19 [10.1088/1361-6420/33/1/015003].
Bortolotti, V; Brown, R J S; Fantazzini, P; Landi, G; Zama, F
File in questo prodotto:
File Dimensione Formato  
IP33-015003.pdf

accesso aperto

Tipo: Postprint
Licenza: Licenza per Accesso Aperto. Creative Commons Attribuzione - Non commerciale - Non opere derivate (CCBYNCND)
Dimensione 1.84 MB
Formato Adobe PDF
1.84 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/575469
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 40
  • ???jsp.display-item.citation.isi??? 37
social impact