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bioRxiv · 10.1101/2023.06.09.544417

Eclipse: Alignment of Two or More Nontargeted LC-MS Metabolomics Datasets using Directed Subalignments

Hitchcock, D. S.·Krejci, J. N.·Dennis, C. A.·Jeanfavre, S. T.·Avila-Pacheco, J. R.·Clish, C. B.
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Abstract

Nontargeted LC-MS metabolomics datasets contain a wealth of information but present many challenges during analysis and processing. Often, two or more independently processed datasets must be aligned to form a complete dataset, but no available software meets our needs. For this, we have created an open-source Python package called Eclipse. Eclipse uses a novel graph-based subalignment approach to handle complex matching scenarios that arise from n>2 datasets. Eclipse is open source (https://github.com/broadinstitute/bmxp) and can be installed via "pip install bmxp".

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Hitchcock, D. S., Krejci, J. N., Dennis, C. A., Jeanfavre, S. T., Avila-Pacheco, J. R., Clish, C. B.. 2023-06-11. Eclipse: Alignment of Two or More Nontargeted LC-MS Metabolomics Datasets using Directed Subalignments. https://doi.org/10.1101/2023.06.09.544417

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