Stationary wavelet denoising of solid-state NMR spectra using multiple similar measurements

被引:0
作者
Song, Peijun [1 ]
Xu, Jun [2 ,4 ]
Liu, Xinjie [2 ]
Zhang, Zhi [2 ]
Rao, Xinglong [1 ]
Martinho, Ricardo P. [3 ]
Bao, Qingjia [2 ]
Liu, Chaoyang [2 ,4 ,5 ]
机构
[1] Wuhan Univ Technol, Sch Sci, Wuhan 430070, Peoples R China
[2] Innovat Acad Precis Measurement Sci & Technol, Key Lab Magnet Resonance Biol Syst, Wuhan 430071, Peoples R China
[3] Univ Twente, Fac Sci & Technol, Drienerlolaan 5, NL-7500 AE Enschede, Netherlands
[4] Univ Chinese Acad Sci, Beijing 100049, Peoples R China
[5] Opt Valley Lab, Wuhan 430074, Hubei, Peoples R China
基金
中国国家自然科学基金;
关键词
Solid State NMR; Denoising; Wavelet transform; Multiple scans; SPECTROSCOPY; PRINCIPLES; ALUMINUM; SIGNAL;
D O I
10.1016/j.jmr.2023.107615
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Accumulating several scans of free induction decays is always needed to improve the signal-to-noise ratio of NMR spectra, especially for the low gyromagnetic ratio solid-state NMR. In this study, we present a new denoising approach based on the correlations between multiple similar NMR spectra. Contrary to the simple averaging of multiple scans or denoising the final averaged spectrum, we propose a Wavelet-based Denoising technique for Multiple Similar scans(WDMS). Firstly, the stationary wavelet transform is applied to decompose every spectrum into approximation coefficients and detail coefficients. Then, the detail coefficients are multiplied by weights calculated based on Pearson's correlation coefficient and structural similarity index between approximation coefficients of different spectra. Finally, the average of these detailed components is used to denoise the spectra. The proposed method is carried on the assumption that noise between multiple spectra is uncorrelated while peak signal information is similar between different spectra, thus preserving the possibility of applying further processing to the data. As a demonstration, the standard wavelet denoise is applied to the WDMS-processed spectra, achieving a further increase in the S/N ratio. We confirm the reliability of the denoising approach based on multiple scans on 1D/2D solid-state MAS/static NMR spectra. In addition, we also show that this method can be used to deal with a single Car-Purcell-Meiboom-Gill (CPMG) echo train.
引用
收藏
页数:10
相关论文
共 46 条
[1]   Enhancement of the Nuclear Spin Noise Signal Using Wavelet Transform [J].
Adilakshmi, D. ;
Chandra, Kousik ;
Ramanathan, K. V. .
CHEMPHYSCHEM, 2019, 20 (03) :456-462
[2]   De Novo 3D Structure Determination from Sub-milligram Protein Samples by Solid-State 100 kHz MAS NMR Spectroscopy [J].
Agarwal, Vipin ;
Penzel, Susanne ;
Szekely, Kathrin ;
Cadalbert, Riccardo ;
Testori, Emilie ;
Oss, Andres ;
Past, Jaan ;
Samoson, Ago ;
Ernst, Matthias ;
Boeckmann, Anja ;
Meier, Beat H. .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (45) :12253-12256
[3]   Selective Adsorption and Separation of ortho-Substituted Alkylaromatics with the Microporous Aluminum Terephthalate MIL-53 [J].
Alaerts, Luc ;
Maes, Michael ;
Giebeler, Lars ;
Jacobs, Pierre A. ;
Martens, Johan A. ;
Denayer, Joeri F. M. ;
Kirschhock, Christine E. A. ;
De Vos, Dirk E. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (43) :14170-14178
[4]   DESPERATE: A Python']Python library for processing and denoising NMR spectra [J].
Altenhof, Adam R. ;
Mason, Harris E. ;
Schurko, Robert W. .
JOURNAL OF MAGNETIC RESONANCE, 2023, 346
[5]   Solid state 17O NMR -: an introduction to the background principles and applications to inorganic materials [J].
Ashbrook, Sharon E. ;
Smith, Mark E. .
CHEMICAL SOCIETY REVIEWS, 2006, 35 (08) :718-735
[6]   REPULSION, a novel approach to efficient powder averaging in solid-state NMR [J].
Bak, M ;
Nielsen, NC .
JOURNAL OF MAGNETIC RESONANCE, 1997, 125 (01) :132-139
[7]  
Bak Mads, 2011, J Magn Reson, V213, P366, DOI 10.1016/j.jmr.2011.09.008
[8]  
BALDOCK JA, 1992, BIOGEOCHEMISTRY, V16, P1, DOI 10.1007/BF02402261
[9]   A Review of the Principles and Applications of the NMR Technique for Near-Surface Characterization [J].
Behroozmand, Ahmad A. ;
Keating, Kristina ;
Auken, Esben .
SURVEYS IN GEOPHYSICS, 2015, 36 (01) :27-85
[10]   Wavelet Based Noise Reduction in CT-Images Using Correlation Analysis [J].
Borsdorf, Anja ;
Raupach, Rainer ;
Flohr, Thomas ;
Hornegger, Joachim .
IEEE TRANSACTIONS ON MEDICAL IMAGING, 2008, 27 (12) :1685-1703