Case study: Electrochemistry

[PeterKraus]

Copied from the #1, this discussion is to establish a knowledge-base in the area of RDM in Electrochemistry for the MADICES 2024 workshop:

• Wide variety of sample types, including "battery cells" (sample entry corresponds to one item) and "materials" (sample entry corresponds to a divisible amount of material)
• Proliferation of binary, vendor-specific data formats
• Large number of individual samples - battery cycling is often done on 100s of individual cells

Please include links to RDM efforts, datasets, schemas, concepts, and discuss these ideas below.

[simontaurus]

We have started building a schema repo https://github.com/OpenSemanticWorld-Packages/osw-package-maintenance/blob/main/README.md##page-packages, including battery specifics (=> BIG-MAP). Schemas are also hosted interactively as a knowledge base: https://opensemantic.world/wiki/Main_Page. Both build with and for https://github.com/OpenSemanticLab

[PeterKraus]

The website looks quite nice. Do you have anything that shows how this ontologisation works in practice? If I take care during the assembly of cells, keep a bill of materials, and then run my batch of battery cells on a potentiostat, what happens next?

[simontaurus]

In this regard we put the structure of data first (JSON-SCHEMA) and the ontology annotation (JSON-LD context) second. This enables us to start from the beginning with well structured data (e.g. for inventory of materials and device, processes and measurements) and solve the difficult task to define the semantical meaning, especially beyond our own scope, over time in a flexible way.
Here an interactive demo for this approach: https://oo-ld.github.io/playground/
we call OO-LD: https://github.com/OO-LD/schema