Automatic time-shift alignment method for chromatographic data analysis

Abstract Time shift among samples remains a significant challenge in data analysis, such as quality control of natural plant extracts and metabolic profiling analysis, because this phenomenon may lead to invalid conclusions. In this work, we propose a new time shift alignment method, namely, automat...

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Autores principales:	Qing-Xia Zheng, Hai-Yan Fu, He-Dong Li, Bing Wang, Cui-Hua Peng, Sheng Wang, Jun-Lan Cai, Shao-Feng Liu, Xiao-Bing Zhang, Yong-Jie Yu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/1a28e3286a0b4e72ad45e9c7c66e70dd
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spelling	oai:doaj.org-article:1a28e3286a0b4e72ad45e9c7c66e70dd2021-12-02T12:32:14ZAutomatic time-shift alignment method for chromatographic data analysis10.1038/s41598-017-00390-72045-2322https://doaj.org/article/1a28e3286a0b4e72ad45e9c7c66e70dd2017-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00390-7https://doaj.org/toc/2045-2322Abstract Time shift among samples remains a significant challenge in data analysis, such as quality control of natural plant extracts and metabolic profiling analysis, because this phenomenon may lead to invalid conclusions. In this work, we propose a new time shift alignment method, namely, automatic time-shift alignment (ATSA), for complicated chromatographic data analysis. This technique comprised the following alignment stages: (1) automatic baseline correction and peak detection stage for providing useful chromatographic information; (2) preliminary alignment stage through adaptive segment partition to correct alignment for the entire chromatogram; and (3) precise alignment stage based on test chromatographic peak information to accurately align time shift. In ATSA, the chromatographic peak information of both reference and test samples can be completely employed for time-shift alignment to determine segment boundaries and avoid loss of information. ATSA was used to analyze a complicated chromatographic dataset. The obtained correlation coefficients among samples and data analysis efficiency indicated that the influences of time shift can be considerably reduced by ATSA; thus accurate conclusion could be obtained.Qing-Xia ZhengHai-Yan FuHe-Dong LiBing WangCui-Hua PengSheng WangJun-Lan CaiShao-Feng LiuXiao-Bing ZhangYong-Jie YuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Qing-Xia Zheng Hai-Yan Fu He-Dong Li Bing Wang Cui-Hua Peng Sheng Wang Jun-Lan Cai Shao-Feng Liu Xiao-Bing Zhang Yong-Jie Yu Automatic time-shift alignment method for chromatographic data analysis
description	Abstract Time shift among samples remains a significant challenge in data analysis, such as quality control of natural plant extracts and metabolic profiling analysis, because this phenomenon may lead to invalid conclusions. In this work, we propose a new time shift alignment method, namely, automatic time-shift alignment (ATSA), for complicated chromatographic data analysis. This technique comprised the following alignment stages: (1) automatic baseline correction and peak detection stage for providing useful chromatographic information; (2) preliminary alignment stage through adaptive segment partition to correct alignment for the entire chromatogram; and (3) precise alignment stage based on test chromatographic peak information to accurately align time shift. In ATSA, the chromatographic peak information of both reference and test samples can be completely employed for time-shift alignment to determine segment boundaries and avoid loss of information. ATSA was used to analyze a complicated chromatographic dataset. The obtained correlation coefficients among samples and data analysis efficiency indicated that the influences of time shift can be considerably reduced by ATSA; thus accurate conclusion could be obtained.
format	article
author	Qing-Xia Zheng Hai-Yan Fu He-Dong Li Bing Wang Cui-Hua Peng Sheng Wang Jun-Lan Cai Shao-Feng Liu Xiao-Bing Zhang Yong-Jie Yu
author_facet	Qing-Xia Zheng Hai-Yan Fu He-Dong Li Bing Wang Cui-Hua Peng Sheng Wang Jun-Lan Cai Shao-Feng Liu Xiao-Bing Zhang Yong-Jie Yu
author_sort	Qing-Xia Zheng
title	Automatic time-shift alignment method for chromatographic data analysis
title_short	Automatic time-shift alignment method for chromatographic data analysis
title_full	Automatic time-shift alignment method for chromatographic data analysis
title_fullStr	Automatic time-shift alignment method for chromatographic data analysis
title_full_unstemmed	Automatic time-shift alignment method for chromatographic data analysis
title_sort	automatic time-shift alignment method for chromatographic data analysis
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/1a28e3286a0b4e72ad45e9c7c66e70dd
work_keys_str_mv	AT qingxiazheng automatictimeshiftalignmentmethodforchromatographicdataanalysis AT haiyanfu automatictimeshiftalignmentmethodforchromatographicdataanalysis AT hedongli automatictimeshiftalignmentmethodforchromatographicdataanalysis AT bingwang automatictimeshiftalignmentmethodforchromatographicdataanalysis AT cuihuapeng automatictimeshiftalignmentmethodforchromatographicdataanalysis AT shengwang automatictimeshiftalignmentmethodforchromatographicdataanalysis AT junlancai automatictimeshiftalignmentmethodforchromatographicdataanalysis AT shaofengliu automatictimeshiftalignmentmethodforchromatographicdataanalysis AT xiaobingzhang automatictimeshiftalignmentmethodforchromatographicdataanalysis AT yongjieyu automatictimeshiftalignmentmethodforchromatographicdataanalysis
_version_	1718394144056934400

Automatic time-shift alignment method for chromatographic data analysis

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