Finally, UmetaFlow was used to process and annotate a large metabolomic dataset of 1,245 raw files acquired from a Thermo Orbitrap IDX instrument and derived from 100 actinomycete strains, grown in three different conditions with three biological replicates per treatment. The parameters used for that dataset were identical to the ones used for the in-house validation data (Table ) and they remain as the default parameters of UmetaFlow. Running all 1,245 raw files through the preprocessing step was achieved in 1h 12m 24s at a pair of Intel(R) Xeon(R) CPU E5-2695 v3 @ 2.30GHz, with 14 cores per socket and 2 threads per core, with 512GB of RAM. Re-quantification took 1d 17h 36m. Acquiring the formula and structural predictions for all files took 9d 23h 58m 16s and GNPS-export took 29m and 27s. The final table consists of 106,578 putative metabolic features. Out of the 56,464 features with MS 2 information, 1,684 (∼3%) were annotated with spectral matches (MSI level 2 ), 25,976 (∼46%) were annotated with formula predictions and 13,722 (∼24%) were annotated with both formula and structural predictions (MSI level 3 ).