SIRIUS 5 project summary files, unchanged, as published by the source below.
Source: MAPP Metabolomics Unit, University of Fribourg: batch mapp_batch_00114 (Saccharomyces cerevisiae BY4742). https://github.com/mapp-metabolomics-unit/johnny-watanabe-group (commit 30b01ed, 23 Sep 2024)
Files: compound_identifications.tsv, formula_identifications.tsv, canopus_compound_summary.tsv
Licence: GPL-3.0 (LICENSE.txt)
Used as the SIRIUS example of Microbial Metabolite Annotation [MS2] (MetaboAnalyst).
Methods to cite: SIRIUS 4: Duehrkop K et al., Nat Methods 16:299-302 (2019), doi:10.1038/s41592-019-0344-8; CSI:FingerID: Duehrkop K et al., PNAS 112:12580-12585 (2015), doi:10.1073/pnas.1509788112; COSMIC: Hoffmann MA et al., Nat Biotechnol 40:411-421 (2022), doi:10.1038/s41587-021-01045-9; CANOPUS: Duehrkop K et al., Nat Biotechnol 39:462-471 (2021), doi:10.1038/s41587-020-0740-8; ZODIAC: Ludwig M et al., Nat Mach Intell 2:629-641 (2020), doi:10.1038/s42256-020-00234-6
