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Description
This is a superissue, subprojects will be sorted into new issues and branches.
Parse XPS data from MPI CEC, integrating our laboratory workflows including:
- data conversion to NXmpes -> Update XPS reader pynxtools#172, Refactor XPS reader pynxtools#188
- Support adding .slh metadata files -> Support adding .slh, .csv metadata files for SLE reader #3
- get experiments from LabStep (ELN @ MPI CEC) to NOMAD
- Build an inherited NXapxps application definition (with focus on pressure, temperature, gas phase composition, mass spectrometry data, ...)
- Build XPS data analysis chain in NXmpes -> Description of peak fitting (e.g., in XPS) nexus_definitions#170
- Parse data analysis (e.g. from CasaXPS)
- Implement on-site NOMAD Oasis and integrate with existing research workflow and RDM
later:
- integration to LabStep: metadata extraction and automatic population of experiments
- collecting/populating sample (preparation) information