Document Type
Article
Publication Date
7-11-2023
Original Citation
Li S,
Siddiqa A,
Thapa M,
Chi Y,
Zheng S.
Trackable and scalable LC-MS metabolomics data processing using asari. Nat Commun. 2023;14(1):4113.
Keywords
JGM, Chromatography, Liquid, Reproducibility of Results, Tandem Mass Spectrometry, Metabolomics
JAX Source
Nat Commun. 2023;14(1):4113.
ISSN
2041-1723
PMID
37433854
DOI
https://doi.org/10.1038/s41467-023-39889-1
Grant
This work was in parted funded by NIH grants (to SL) U01 CA235493 (NCI) and R01 AI149746 (NIAID).
Abstract
Significant challenges remain in the computational processing of data from liquid chomratography-mass spectrometry (LC-MS)-based metabolomic experiments into metabolite features. In this study, we examine the issues of provenance and reproducibility using the current software tools. Inconsistency among the tools examined is attributed to the deficiencies of mass alignment and controls of feature quality. To address these issues, we develop the open-source software tool asari for LC-MS metabolomics data processing. Asari is designed with a set of specific algorithmic framework and data structures, and all steps are explicitly trackable. Asari compares favorably to other tools in feature detection and quantification. It offers substantial improvement in computational performance over current tools, and it is highly scalable.
Comments
This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/ licenses/by/4.0/.