metabCombiner
metabCombiner
metabCombiner is a method for aligning pairs of metabolomics data acquired under similar, but not necessarily identical, LC-MS conditions. Two processed metabolomics feature tables with m/z, retention time (RT), and sample abundances (+optional id, adduct, and other columns) are taken as input and metabCombiner generates an output of scored feature pair alignments corresponding to the same analytes in both feature tables.
metabCombiner is a method for aligning pairs of metabolomics data acquired under similar, but not necessarily identical, LC-MS conditions. Two processed metabolomics feature tables with m/z, retention time (RT), and sample abundances (+optional id, adduct, and other columns) are taken as input and metabCombiner generates an output of scored feature pair alignments corresponding to the same analytes in both feature tables.
Publications
Publications
Habra, H.; Kachman, M.; Bullock, K.; Clish, C.; Evans, C. R.; Karnovsky, A. metabCombiner : Paired Untargeted LC-HRMS Metabolomics Feature Matching and Concatenation of Disparately Acquired Data Sets. Anal. Chem. 2021, 93 (12), 5028–5036. https://doi.org/10.1021/acs.analchem.0c03693.
Habra, H.; Kachman, M.; Bullock, K.; Clish, C.; Evans, C. R.; Karnovsky, A. metabCombiner : Paired Untargeted LC-HRMS Metabolomics Feature Matching and Concatenation of Disparately Acquired Data Sets. Anal. Chem. 2021, 93 (12), 5028–5036. https://doi.org/10.1021/acs.analchem.0c03693.