search

FAIRmat-NFDI / nomad-measurements

A NOMAD plugin containing base sections for measurements.
https://FAIRmat-NFDI.github.io/nomad-measurements/
Apache License 2.0
14 stars 1 forks source link

52 new plugin for a simple catalytic measurement #74

Open schumannj opened 9 months ago

schumannj commented 9 months ago

With feedback from Micha @RoteKekse I wrote a new Entry class SimpleCatalyticReaction which allows to input reaction conditions (temp, p, time, gas flow and composition and reactor filling), automatically calculates some derived quantities and generates some figures.

RoteKekse commented 9 months ago

I have this already deployed and hope that it will tested by a catalyst scientist in practice soon.