jochenklar / chemotion-formats

Playground to work on a generic format for chemotion (and more).

chemotion-formats

Experimental scripts to work on semantic formats for Chemotion ELN.

jcampdx2jsonld.py converts a JCAMPDX 5.0 (not 6.0) into a JSONLD. The details are in utils/jcampdx.json.

dataklass2jsonld.py converts a (fake) data file to a JSONLD with the help of a (patched) Chemotion dataklass file. Details are in utils/dataklass.py.