共 24 条
apLCMS-adaptive processing of high-resolution LC/MS data
被引:288
作者:

Yu, Tianwei
论文数: 0 引用数: 0
h-index: 0
机构:
Emory Univ, Rollins Sch Publ Hlth, Dept Biostat & Bioinformat, Atlanta, GA 30322 USA Emory Univ, Rollins Sch Publ Hlth, Dept Biostat & Bioinformat, Atlanta, GA 30322 USA

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Johnson, Jennifer M.
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机构:
Emory Univ, Sch Med, Dept Med, Atlanta, GA USA Emory Univ, Rollins Sch Publ Hlth, Dept Biostat & Bioinformat, Atlanta, GA 30322 USA

Jones, Dean P.
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机构:
Emory Univ, Sch Med, Dept Med, Atlanta, GA USA Emory Univ, Rollins Sch Publ Hlth, Dept Biostat & Bioinformat, Atlanta, GA 30322 USA
机构:
[1] Emory Univ, Rollins Sch Publ Hlth, Dept Biostat & Bioinformat, Atlanta, GA 30322 USA
[2] Emory Univ, Sch Med, Dept Med, Atlanta, GA USA
关键词:
MASS-SPECTROMETRY;
PEAK DETECTION;
ALIGNMENT;
MS;
METABOLOMICS;
METABONOMICS;
METABOLITES;
ALGORITHMS;
D O I:
10.1093/bioinformatics/btp291
中图分类号:
Q5 [生物化学];
学科分类号:
071010 ;
081704 ;
摘要:
Motivation: Liquid chromatography-mass spectrometry (LC/MS) pro. ling is a promising approach for the quanti. cation of metabolites from complex biological samples. Significant challenges exist in the analysis of LC/MS data, including noise reduction, feature identification/quantification, feature alignment and computation efficiency. Result: Here we present a set of algorithms for the processing of high-resolution LC/MS data. The major technical improvements include the adaptive tolerance level searching rather than hard cutoff or binning, the use of non-parametric methods to. ne-tune intensity grouping, the use of run filter to better preserve weak signals and the model-based estimation of peak intensities for absolute quanti. cation. The algorithms are implemented in an R package apLCMS, which can efficiently process large LC/MS datasets.
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收藏
页码:1930 / 1936
页数:7
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