Daniel S Hitchcock, Jesse N Krejci, Chloe E Sturgeon, Courtney A Dennis, Sarah T Jeanfavre, Julian R Avila-Pacheco, Clary B Clish
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Eclipse: A Python package for alignment of two or more nontargeted LC-MS metabolomics datasets.
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 existing software does not fully meet our needs. For this, we have created an open-source Python package called Eclipse. Eclipse uses a novel graph-based approach to handle complex matching scenarios that arise from n > 2 datasets.
Availability and implementation: Eclipse is open source (https://github.com/broadinstitute/bmxp) and can be installed via "pip install bmxp".
Supplementary information: Supplementary data are available at Bioinformatics online.
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