For many years, we been an advocate of ODOSOS (Open Data, Open Source, Open Science). We have been creating datasets which we are now making available on this page. We try to make sure that our data is deposited on long-term supported and community-accepted archives.
We are a member of the NMReData Initiative supporting a light-weight data format to report NMR data, structures and assignments for small molecules in articles.
We deposit metabolomics data in MetaboLights – a global archive for metabolomics which we conceived and developed during our time at the European Bioinformatics Institute (EMBL-EBI).
- With our collaborator at the time in Syngenta, we published a metabolomics dataset MTBLS38 on tomato ripening deposited inMetaboLights. The dataset is additionally described in 
Computer-Assisted Structure Elucidation (CASE) data
- An LSD input file for the computer-assisted structure elucidation of compound number 14 from Liu R, Su Y, Yang J, Wang A (2017) Polyprenylated acylphloroglucinols from Hypericum scabrum. Phytochemistry 142:38–50. doi: 10.1016/j.phytochem.2017.06.011
- (2014): Metabolic differences in ripening of Solanum lycopersicum textquoteleftAilsa Craigtextquoteright and three monogenic mutants. In: Scientific Data, vol. 1, pp. 140029, 2014.