Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra

Maxime Yon; Franck Fayon; Dominique Massiot; Vincent Sarou-Kanian

doi:10.1016/j.ssnmr.2020.101699

Iterative baseline correction algorithm for dead time truncated one-dimensional solid-state MAS NMR spectra

Solid State Nucl Magn Reson. 2020 Dec:110:101699. doi: 10.1016/j.ssnmr.2020.101699. Epub 2020 Nov 4.

Authors

Maxime Yon¹, Franck Fayon², Dominique Massiot², Vincent Sarou-Kanian²

Affiliations

¹ CNRS, CEMHTI UPR3079, Université d'Orléans, F-45071, Orléans, France. Electronic address: maxime.yon@gmail.com.
² CNRS, CEMHTI UPR3079, Université d'Orléans, F-45071, Orléans, France.

PMID: 33190062
DOI: 10.1016/j.ssnmr.2020.101699

Abstract

We present an algorithm suitable for automatically correcting rolling baseline coming from time-domain truncation induced by the dead time in pulse-acquire one-dimensional MAS NMR spectra. It relies on an iterative estimation of the baseline restricted in the time-domain by the dead time duration combined with a histogram filter allowing adaptive selection of the baseline points. This method does not make any assumption regarding the NMR resonances line shapes or widths and does not modify the acquired free induction decay points. This makes it suitable for accurate deconvolution and quantification of single-pulse MAS NMR spectra. The baseline correction accuracy is evaluated on synthetic solid-state spectra of ¹⁹F, ⁷¹Ga, and ²³Na by comparing the fitted baseline to the theoretical one. The versatility of the algorithm is also exemplified on three additional solid-state spectra of ²³Na and ⁷¹Ga. The algorithm is made available to the community through a user-friendly standalone Matlab® application.

Keywords: Baseline correction; MAS; Quantification; SS-NMR.