Metabolites | |
Getting Your Peaks in Line: A Review of Alignment Methods for NMR Spectral Data | |
Trung Nghia Vu1  | |
[1]Department of Mathematics and Computer Science, University of Antwerp, Middelheimlaan 1, Antwerp, B-2020, Belgium | |
[2] E-Mail: | |
关键词: NMR; alignment; preprocessing; peak shifts; Nuclear Magnetic Resonance; | |
DOI : 10.3390/metabo3020259 | |
来源: mdpi | |
【 摘 要 】
One of the most significant challenges in the comparative analysis of Nuclear Magnetic Resonance (NMR) metabolome profiles is the occurrence of shifts between peaks across different spectra, for example caused by fluctuations in pH, temperature, instrument factors and ion content. Proper alignment of spectral peaks is therefore often a crucial preprocessing step prior to downstream quantitative analysis. Various alignment methods have been developed specifically for this purpose. Other methods were originally developed to align other data types (GC, LC, SELDI-MS,
【 授权许可】
CC BY
© 2013 by the authors; licensee MDPI, Basel, Switzerland.
【 预 览 】
Files | Size | Format | View |
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RO202003190037021ZK.pdf | 1121KB | download |