A robust automatic phase correction method for signal dense spectra

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 高技术创新与发展中心

	A robust automatic phase correction method for signal dense spectra
	Bao, Qingjia 1,2; Feng, Jiwen 1; Chen, Li 1; Chen, Fang 1; Liu, Zao 1; Jiang, Bin1 ; Liu, Chaoyang 1,2
刊名	JOURNAL OF MAGNETIC RESONANCE
	2013-09-01
卷号	234 页码:82-89
关键词	Automatic phase correction NMR Coarse tuning Fine tuning Negative penalty Metabonomics study
英文摘要	A robust automatic phase correction method for Nuclear Magnetic Resonance (NMR) spectra is presented. In this work, a new strategy combining 'coarse tuning' with 'fine tuning' is introduced to correct various spectra accurately. In the 'coarse tuning' procedure, a new robust baseline recognition method is proposed for determining the positions of the tail ends of the peaks, and then the preliminary phased spectra are obtained by minimizing the objective function based on the height difference of these tail ends. After the 'coarse tuning', the peaks in the preliminary corrected spectra can be categorized into three classes: positive, negative, and distorted. Based on the classification result, a new custom negative penalty function used in the step of 'fine tuning' is constructed to avoid the negative peak points in the spectra excluded in the negative peaks and distorted peaks. Finally, the fine phased spectra can be obtained by minimizing the custom negative penalty function. This method is proven to be very robust for it is tolerant to low signal-to-noise ratio, large baseline distortion and independent of the starting search points of phasing parameters. The experimental results on both 1D metabonomics spectra with over-crowded peaks and 2D spectra demonstrate the high efficiency of this automatic method. (C) 2013 Elsevier Inc. All rights reserved.
WOS标题词	Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences ; Technology
类目[WOS]	Biochemical Research Methods ; Physics, Atomic, Molecular & Chemical ; Spectroscopy
研究领域[WOS]	Biochemistry & Molecular Biology ; Physics ; Spectroscopy
关键词[WOS]	BASE-LINE-CORRECTION ; FT NMR-SPECTRA ; RESONANCE MASS-SPECTRA ; SPECTROSCOPY ; TRANSFORM ; MINIMIZATION ; ALGORITHM
收录类别	SCI
语种	英语
WOS记录号	WOS:000323085800010
公开日期	2015-07-14
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/861]
专题	武汉物理与数学研究所_高技术创新与发展中心
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China
推荐引用方式 GB/T 7714	Bao, Qingjia,Feng, Jiwen,Chen, Li,et al. A robust automatic phase correction method for signal dense spectra[J]. JOURNAL OF MAGNETIC RESONANCE,2013,234:82-89.
APA	Bao, Qingjia.,Feng, Jiwen.,Chen, Li.,Chen, Fang.,Liu, Zao.,...&Liu, Chaoyang.(2013).A robust automatic phase correction method for signal dense spectra.JOURNAL OF MAGNETIC RESONANCE,234,82-89.
MLA	Bao, Qingjia,et al."A robust automatic phase correction method for signal dense spectra".JOURNAL OF MAGNETIC RESONANCE 234(2013):82-89.