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...
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2017-03-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-017-00390-7 |
| _version_ | 1818425244459728896 |
|---|---|
| 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 |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-14T14:10:51Z |
| format | Article |
| id | doaj.art-1a28e3286a0b4e72ad45e9c7c66e70dd |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-14T14:10:51Z |
| publishDate | 2017-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-1a28e3286a0b4e72ad45e9c7c66e70dd2022-12-21T22:58:18ZengNature PortfolioScientific Reports2045-23222017-03-017111110.1038/s41598-017-00390-7Automatic time-shift alignment method for chromatographic data analysisQing-Xia Zheng0Hai-Yan Fu1He-Dong Li2Bing Wang3Cui-Hua Peng4Sheng Wang5Jun-Lan Cai6Shao-Feng Liu7Xiao-Bing Zhang8Yong-Jie Yu9Zhengzhou Tobacco Research Institute of CNTCSchool of Pharmaceutical Sciences, South-Central University for NationalitiesSchool of Pharmaceutical Sciences, South-Central University for NationalitiesZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCZhengzhou Tobacco Research Institute of CNTCAbstract 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.https://doi.org/10.1038/s41598-017-00390-7 |
| spellingShingle | 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 Scientific Reports |
| title | 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_short | Automatic time-shift alignment method for chromatographic data analysis |
| title_sort | automatic time shift alignment method for chromatographic data analysis |
| url | https://doi.org/10.1038/s41598-017-00390-7 |
| 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 |