What currently exists?
What do we hope to acheive?
The first discussion was focussed on outlined the goals of ORSO.
Points for an ideal data format:
- Priority listing: some information is more important to capture than other
- Cover both X-rays and neutrons, and facility and lab sources
- Uncertainties and errors must be captured
- The underlying format (xml/nexus) is not as important as the agreed data layout
Proliferation of software: currently many reflectometry analysis packages exist can we consolidate these somehow?
Education and communication is a vital aspect alongside the development of standards.
Standardisation: we aim to achieve some level of standardisation in the following areas.
- Resolution and downstream handling
- What does data represent?
- Where does generalisation end and specialisation begin?
- Guidelines: push for consistency with community and journals
- Making sense of automated (in-line) analysis
How far should we go?
The second point was to discuss how many different things ORSO should comment/advise on.
- It was generally agreed that specular reflectometry was within the remit, with possible investigation into off-specular in future
- GiSAS could be a low barrier given the current work by the CanSAS community, however we do not want to duplicate effort
- The NXcanSAS format would be useful starting point for a file format
- Spin echo reflectometry is probabilty too much for now
Reduction – users should leave with analysable data (restrictions apply)
- Instruments vary
- Common ground but lots of variance
- Raw and reduced data should be provided along with the reduction methodology
- The knowledge within X-ray reflectometry instrumentation industry would be valuable
- Hopefully they will be able to contribute as well as take
- At least reduced data should be delivered
- Analysis is a slope/incline
- Software is often specialised for a reason, but there are common approaches
- A shared library of these common approaches on some web resource would be useful
- Benchmarking between the different softwares
- Guidelines on unit tests
- An analysis round robin
- Analytical method comparison
- Metadata regarding analysis
- AI/ML in the future