IKZ XRD group meeting 25.04.2024 - RSM data and other XRD topics

[budschi]

• summary of meeting:
  • NOMAD schema available for 1d and 2d XRD data --> please provide feedback or request changes
  • data processing and displaying of entry takes a lot of time for RSM data --> we discuss with Area D further improvements
  • sample definition required! Colaborate with synthesis group on sample description --> XRD group connects with Jutta's group (Jeremy, Ta-Shun, Jana, Mohamed)
  • establish best practices for XRD software handling to capture all metadata in raw file automatically --> benefit: XRD measurements automatically references sample --> prerequisite for automatic file uploading after measuring
  • plan XRD data upload:
    • all XRD data?
    • each file in individual upload, group in folders by project/user/material/etc.?
  • develop search app for XRD data --> XRD users can provide ideas for preset search filters or plots, app will be developed by us
  • XRD data analysis and visualization
    • prepare examples in small group and present to large group when finished
    • standard analysis routines:
      • peak finding
      • RSM line cuts
      • XRR analysis
    • define correspondign analysis results schema to make the results findable in NOMAD (if possible make use of NOMAD's results section)
    • we develop Jupyter Notebooks and Python functions together with Carsten
  • work out some nice demo uploads that showcase strenght of NOMAD Oasis usage (automatically linked dataset of sample, process, measurement and analysis):
    • Jeremy PLD --> thin film layer stack --> XRR --> layer analysis
    • Mohamed MOVPE --> thin film layer stack --> XRD --> layer analysis