Description
This poster describes how RSpace, a research orchestration platform that connects data from instruments and samples to research documentation, and integrates with a broad ecosystem or research and research data management tools, incorporates support for materials science workflows.
Four workflows are described:
Chemistry workflows including chemical structure import, creation and search, stoichiometry and import from PubChem.
Management of chemical samples and association of sample data with chemistry records in the RSpace ELN.
Association of instrument data with data from samples produced by the instruments.
Bidirectional passage of chemistry data to Galaxy for analysis and return of results to RSpace.
The poster concludes with a depiction of how RSpace is being used to enable these workflows at the Leibniz Institute of New Materials, and plans to enhance the RSpace - Galaxy integration, which enables a tight connection between lab and computational research, keeping it all in context in RSpace.