Research on Baseline Extraction Method Based on NMR Spectrogram
This paper proposes a baseline extraction method based on a nuclear magnetic resonance atlas, which uses the DBSCAN algorithm to cluster the data extracted by the nuclear magnetic resonance spectrometer and determines the baseline of the atlas according to the clustering results. In this paper, the...
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| Vydáno v: | Journal of physics. Conference series Ročník 2303; číslo 1; s. 12080 - 12085 |
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| Hlavní autoři: | , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
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Bristol
IOP Publishing
01.07.2022
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| ISSN: | 1742-6588, 1742-6596 |
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| Abstract | This paper proposes a baseline extraction method based on a nuclear magnetic resonance atlas, which uses the DBSCAN algorithm to cluster the data extracted by the nuclear magnetic resonance spectrometer and determines the baseline of the atlas according to the clustering results. In this paper, the core parameters of the DBSCAN algorithm are improved, and the Eps parameter set is selected by combining k-dist and equal interval division. The optimal number of outliers is obtained based on this set, and the baseline value range is set. Finally, the clustering quality is tested by the silhouette coefficient. The final experiment shows that the accuracy and stability of the baseline set based on the improved DBSCAN clustering algorithm are better. |
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| AbstractList | This paper proposes a baseline extraction method based on a nuclear magnetic resonance atlas, which uses the DBSCAN algorithm to cluster the data extracted by the nuclear magnetic resonance spectrometer and determines the baseline of the atlas according to the clustering results. In this paper, the core parameters of the DBSCAN algorithm are improved, and the Eps parameter set is selected by combining k-dist and equal interval division. The optimal number of outliers is obtained based on this set, and the baseline value range is set. Finally, the clustering quality is tested by the silhouette coefficient. The final experiment shows that the accuracy and stability of the baseline set based on the improved DBSCAN clustering algorithm are better. |
| Author | Xiong, ShiYong Xu, Daoxu Zhu, Fuli |
| Author_xml | – sequence: 1 givenname: ShiYong surname: Xiong fullname: Xiong, ShiYong organization: Chongqing University of Posts and Telecommunications – sequence: 2 givenname: Fuli surname: Zhu fullname: Zhu, Fuli organization: Chongqing University of Posts and Telecommunications – sequence: 3 givenname: Daoxu surname: Xu fullname: Xu, Daoxu organization: Chongqing University of Posts and Telecommunications |
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| Cites_doi | 10.1016/j.jmr.2006.07.013 10.1039/b922045c |
| ContentType | Journal Article |
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| DOI | 10.1088/1742-6596/2303/1/012080 |
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| References | Rong (JPCS_2303_1_012080bib8) 2004; 24 Ester (JPCS_2303_1_012080bib5) 1996 Chen (JPCS_2303_1_012080bib7) 2021; 43 Xi (JPCS_2303_1_012080bib3) 2008; 9 Cobas (JPCS_2303_1_012080bib2) 2006; 183 Yin (JPCS_2303_1_012080bib1) 2021; 10 Zhang (JPCS_2303_1_012080bib4) 2010; 135 Li (JPCS_2303_1_012080bib6) 2019; 55 |
| References_xml | – volume: 10 start-page: 1 year: 2021 ident: JPCS_2303_1_012080bib1 article-title: Application of Nuclear Magnetic Resonance Spectroscopy in Three-dimensional Protein Structure Analysis publication-title: J. Progress in Biochemistry and Biophysics – volume: 9 start-page: 1 year: 2008 ident: JPCS_2303_1_012080bib3 article-title: Baseline correction for NMR spectroscopic metabolomics data analysis publication-title: J. BMC bioinformatics – volume: 183 start-page: 145 year: 2006 ident: JPCS_2303_1_012080bib2 article-title: A new general-purpose fully automatic baseline-correction procedure for 1D and 2D NMR data publication-title: J. J Magn Reson doi: 10.1016/j.jmr.2006.07.013 – volume: 135 start-page: 1138 year: 2010 ident: JPCS_2303_1_012080bib4 article-title: Baseline correction using adaptive iteratively reweighted penalized least squares publication-title: J. Analyst doi: 10.1039/b922045c – volume: 43 start-page: 156 year: 2021 ident: JPCS_2303_1_012080bib7 article-title: Anomaly detection method for intelligent cabin multi-source data based on DBSCAN publication-title: J. Ship Science and Technology – volume: 55 start-page: 1 year: 2019 ident: JPCS_2303_1_012080bib6 article-title: Research on Algorithm for Adaptive Determination of DBSCAN Algorithm Parameters publication-title: J. Computer Engineering and Applications – start-page: 226 year: 1996 ident: JPCS_2303_1_012080bib5 article-title: A density-based algorithm for discovering clusters in large spatial databases with noise C – volume: 24 start-page: 45 year: 2004 ident: JPCS_2303_1_012080bib8 article-title: Researchand implementation of clustering algorithm based on DBSCAN publication-title: J. Computer Applications |
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| SubjectTerms | Algorithms Clustering NMR Nuclear magnetic resonance Outliers (statistics) Parameters Physics |
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| Title | Research on Baseline Extraction Method Based on NMR Spectrogram |
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