IKZ Transmission schema finalize

FAIRmat-NFDI / AreaA-data_modeling_and_schemas

The ELN custom schemas from synthesis experiments

https://fairmat-nfdi.github.io/AreaA-Documentation/

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IKZ Transmission schema finalize #15

Open budschi opened 1 year ago

budschi commented 1 year ago

Goal: drop measurement file from Perkin Ellmer which populates ELN entry

[ ] feedback from Tobias
[ ] Connect the transmission measurement into a sample workflow?
[ ] Auto-generated experiment identifier inside NOMAD?

domna commented 1 year ago

@budschi I updated the scheme and it should now work (just drag the files inside transmission/nexus_eln_example into the ikz nomad)

During the processing a nexus files is created, too. It is according to this appdef: https://github.com/FAIRmat-Experimental/data-modeling/blob/main/Application_Definitions/new/NXtransmission.yml

domna commented 1 year ago

Generally, the best idea here would be also to connect the measurement to the sample workflow @aalbino2 and @hampusnasstrom build. However, there are still a lot of problems associated with interfacing nexus and metainfo and I think this should be solved generally (i.e. do we implement a nexus file as a task inside the workflows or is it able to represent a whole entry by itself?). I think there are still a lot of technical decisions to be made to properly bringing it together.

budschi commented 1 year ago

At the moment the schema requires uploading a "eln_data-yaml" file to generate a Nexus output file with the ELN and transmission measurement data. This should work without the additional eln_data.yaml file if you fill in the ELN data manually.

[x] no eln_data.yaml required when ELN data was filled manually via the gui

domna commented 1 year ago

I added a MR in NOMAD to automatically add the file if it is not provided via the input fields.