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proFIA: a data preprocessing workflow for flow injection analysis coupled to high-resolution mass spectrometry

Alexis Delabrière, Ulli M Hohenester, Benoit Colsch, Christophe Junot, François Fenaille, Etienne A Thévenot, Oliver Stegle
2017 Bioinformatics  
Motivation: Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS) is a promising approach for high-throughput metabolomics.  ...  These results demonstrate that proFIA achieves very efficient and robust detection and quantification of FIA-HRMS data, and opens new opportunities for high-throughput phenotyping.  ...  Acknowledgements We thank Sandra Alves and Estelle Rathahao-Paris for sharing the urine data, and Jean Claude Tabet for his reviewing of the manuscript.  ... 
doi:10.1093/bioinformatics/btx458 pmid:29036359 fatcat:ymecnwdltfb77im4khfktuqole

Create, run, share, publish, and reference your LC–MS, FIA–MS, GC–MS, and NMR data analysis workflows with the Workflow4Metabolomics 3.0 Galaxy online infrastructure for metabolomics

Yann Guitton, Marie Tremblay-Franco, Gildas Le Corguillé, Jean-François Martin, Mélanie Pétéra, Pierrick Roger-Mele, Alexis Delabrière, Sophie Goulitquer, Misharl Monsoor, Christophe Duperier, Cécile Canlet, Rémi Servien (+4 others)
2017 International Journal of Biochemistry and Cell Biology  
and run data analysis workflows including preprocessing, statistical analysis, and annotation steps.  ...  Publication of data analyses is of major importance for robust and reproducible science. Furthermore, the publicly shared workflows are of high-value for e-learning and training.  ...  for PLS-DA, Random Forest, or SVM classifiers, the NMR Annotation tool for annotation of NMR spectra, or the proFIA tool for the preprocessing of data from Flow Injection Analysis coupled to High-Resolution  ... 
doi:10.1016/j.biocel.2017.07.002 pmid:28710041 fatcat:6ive7uxltbfrxjl3wrf2nisk6m