scipp / scipp/ess

[ESSdiffraction] Implement PDF reduction workflow

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#608 1 comment 0 reactions 0 assignees View on GitHub

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enhancement essdiffraction
Dominant language
Python
Stars
1
Forks
3
Avg merge
2d 11h
Merged PRs (30d)
17

Description

We need a PDF reduction workflow for DREAM besides the powder workflow. We already have compute_pdf_from_structure_factor but lack a way to compute the structure factor. So we need to add that and put everything together into a workflow.

Do we need a separate workflow or can we make a combined workflow where users can request either powder or pdf results? This may present a problem for widgets or livedata.

Related: #468

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start by reading the existing compute_pdf_from_structure_factor implementation and the powder workflow, then review related issue #468. Determine how the structure factor should be computed and whether PDF and powder reductions should be separate or combined, including implications for widgets and livedata. Done means DREAM supports a complete PDF reduction workflow with the chosen interface.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Quiet
Clarity
Needs clarification
Newbie friendliness
35/100

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