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proFIA: a data preprocessing workflow for flow injection analysis coupled to high-resolution mass spectrometry
2017
Bioinformatics
Motivation: Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS) is a promising approach for high-throughput metabolomics. FIA-HRMS data, however, cannot be preprocessed with current software tools which rely on liquid chromatography separation, or handle low resolution data only. Results: We thus developed the proFIA package, which implements a suite of innovative algorithms to preprocess FIA-HRMS raw files, and generates the table of peak intensities. The workflow
doi:10.1093/bioinformatics/btx458
pmid:29036359
fatcat:ymecnwdltfb77im4khfktuqole