Sample data for XPS

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Hi Mark, cc Sandor,

Thank you very much. I added them to the north-remote-toolhub repository to solve the associated issue of the sprint. Just uploaded as they are right now however is not of much use. Initially, I thought that having a jupyter notebook or so for displaying the data at least would be good start to have. My question is are these parsers you mentioned available in some public repository to which the notebook could be interfaced or are these separate parser projects / eventually private repos that have right now no connection to nomad?

In the second case I would recommend the following: It seems to me that we need to open up another issue on this one, i.e. tools for parsing these files. My suggestion for the current sprint is to just have these files collected, i.e. tick theissue for now and treat the parsing as an example with one of the next sprints. XPS could be a good example then to bring at least one parser into a state that it can be used with nomad and then to interface this with e.g. a jupyter notebook or sth else to visualize the spectrum.

In the first case I could use these to parse and display the raw data via jupyter if you wish.

I feel I begin to touch here already on UI experiences, i.e. how your community should/does interact with such data. That is sth I should not decide but where a discussion is needed what you want or how you envision it. You mentioned you are in the process of building up a group now on this so that eventually a new colleague, XPS domain specialist ?, will take the parsing and analysis tool development. The activities should be connected then, but for now this is too much for the sprint.

Where should we place these files, on Zenodo or in the repo? Compressed these are 1 MiB.

created merge request !31 (merged) to address this issue

mentioned in merge request !31 (merged)

added files from Mark and summary of discussion points as well as the parser and plotting code he delivered for creating a first version of a ipynb for parsing and visualizing spectra, many next steps needed on the XPS domain experts side

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mentioned in commit 4ec603ad

closed with merge request !31 (merged)