[Requirement] BEER: Powder diffraction reduction workflow

[celinedurniak]

Executive summary

Implement reduction worklow for Powder Diffraction at BEER

Context and background knowledge

The workflow should

• load sample+container, vanadium and container
• offer the option of masking detector (pixel id and spatial coordinate)
• convert to d-spacing or Q with calibration
• normalise by monitor spectrum
• remove Vanadium peaks (option)
• subtract container
• normalise by Vanadium
• plot 1D spectra + theoretical peak positions
• save as xye

For this first implementation, we use 2D detectors

Follow-up: support of 3D detectors

Inputs

McStas NeXus files for sample in container, empty container and Vanadium

Methodology

See actions above and existing DREAM workflow

Outputs

Data
2 1D spectra in ToF: a spectrum per detector bank
Format: xye

Reduction script
The notebook should be available in Code Shelf

Which interfaces are required?

Integrated into reduction workflow

Test cases

Please contact me to have access to the 3 NeXus files

Existing implementations

Many steps done for DREAM can to be applied to BEER data
Please contact me to have access to the draft of the workflow

Comments

The resolution of the detectors has not been decided yet

[jl-wynen]

We should do this before the STAP at the end of April (week 17).
Céline already has the workflow in a notebook and some simulated data. We only need to transfer that into a sciline workflow and add it to the docs.

[jokasimr]

@celinedurniak can you share the notebook with us?

[celinedurniak]

BEER_powder_diffraction_for_integ_in_Scipp.ipynb

I used simulations with 2D detector banks ( https://project.esss.dk/nextcloud/index.php/s/Gnc2mCTa73THFQT)