[Nexus] Data from experiments involving electrochemistry

[Koennecke Mark (PSI)]

Dear Will,

My feeling is that the necessary fields should go into the NXsample group. You may need to suggest additional fields to the
NIAC in order to cover your use case. I would only opt for an extra potentiometer group if you need to store much more additional
information about the thing, more than in foreseen in NXenvironment.

Now, regarding the storage of values over time. There are two cases:

- If you do a scan of some form you just treat those values like a scan variable and write one per scan point.
- If this is more like a temperature which can vary wildly throughout a measurement (It should not but it sometimes does), then consider
  replacing the appropriate field through a NXlog structure.


Best Regards,


      Mark Koennecke


Am 28.07.2022 um 11:11 schrieb Collins, Steve (DLSLtd,RAL,SCI) via NeXus <nexus at shadow.nd.rl.ac.uk<mailto:nexus at shadow.nd.rl.ac.uk>>:

Dear Will,

People will have more expert opinions on this than me, but this is something of interest for us at Diamond (ARPES, PEEM, XMCD,…).

I would say that both would be ideal. Fields in NXsample would give an overview of the sample state, independently of the instrumentation controlling it. Then a description of the instrument (e.g. potentiostat) could also be given if this is useful (which it probably is) and the NXsample fields could be linked to it.

I don’t think there is a problem with the values changing throughout the measurement as long as the values for each measurement point are given.

But I’m sure people will have other views…

Cheers,
Steve


From: NeXus <nexus-bounces at shadow.nd.rl.ac.uk<mailto:nexus-bounces at shadow.nd.rl.ac.uk>> On Behalf Of Smith, William via NeXus
Sent: 28 July 2022 09:08
To: nexus at nexusformat.org<mailto:nexus at nexusformat.org>
Cc: Smith, William <william.smith at helmholtz-berlin.de<mailto:william.smith at helmholtz-berlin.de>>; Garcia Diez, Raul <raul.garcia_diez at helmholtz-berlin.de<mailto:raul.garcia_diez at helmholtz-berlin.de>>
Subject: [Nexus] Data from experiments involving electrochemistry

Dear NeXus Community,

I am producing data for a number of techniques that fit into NeXus application definitions like NXmpes, NXxas, NXfluo. During each of the experiments that we perform we may be changing the potential over the sample, or current through the sample or some combination of the two. We might measure the potential applied, the potential across the sample, and the current through the sample.

Does anybody have a suggestion of where to include this data? I can see that NXSample has an electric_field component, but in my case it is changing throughout the experiment.https://manual.nexusformat.org/classes/base_classes/NXsample.html#nxsample

Should the potentiostat that drives the change in the sample environment be part of the INSTRUMENT field, then I would link in data /entry/instrument/potentiostat/electrode_voltage etc

Or

Should the potentiostat that drives the change in the sample environment be part of the SAMPLE field, then I would link in data /entry/sample/potentiostat/electrode_voltage etc

Or something else completely.

I would like to hear how other people tackle this problem.

Thanks!

Will


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