Hitchcock Daniel S, Krejci Jesse N, Sturgeon Chloe E, Dennis Courtney A, Jeanfavre Sarah T, Avila-Pacheco Julian R, Clish Clary B
Metabolomics Platform, Broad Institute of MIT and Harvard, Cambridge, MA 02142, United States.
Bioinformatics. 2025 Jun 2;41(6). doi: 10.1093/bioinformatics/btaf290.
Nontargeted LC-MS (liquid chromatography-tandem mass spectrometry) 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.
Eclipse is open source (https://github.com/broadinstitute/bmxp) and can be installed via "pip install bmxp."
非靶向液相色谱 - 串联质谱（LC-MS）代谢组学数据集包含丰富的信息，但在分析和处理过程中存在诸多挑战。通常，两个或更多独立处理的数据集必须进行比对以形成一个完整的数据集，但现有软件并不能完全满足我们的需求。为此，我们创建了一个名为Eclipse的开源Python软件包。Eclipse采用一种新颖的基于图的方法来处理由n > 2个数据集产生的复杂匹配情况。
Eclipse是开源的（https://github.com/broadinstitute/bmxp），可通过“pip install bmxp”进行安装。
