Crystalline Phase Mapping
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- Dominant language
- Python
- Stars
- 279
- Forks
- 177
- PR merge metrics
- No merged PRs in 30d
Description
Thanks for this amazing piece of software!
Is your feature request related to a problem? Please describe.
The original py4DSTEM paper shows a very nice crystal phase map, but the execution is not well described there.
Describe the solution you'd like
I would like the code necessary to generate such phase map given a sample which has single crystalline and powder regions combined.
Describe alternatives you've considered
I am right now considering to use the classification method for the twinned crystal using voronoi tesellation, but I am not sure how to chose Qx and Qy for the voronoi in this case (with powder rings included).
I have developed a circular voronoi tesellation, but then I realize that in order to initialize th BraggVectorClassification class, the data has to be given as PointListArray instead of PointList. The only PointListArray I can extract from my braggpeaks PointList is braggpeaks._v_uncal, but of course this is uncalibrated...
Additional context
I attach my calibrated BraggVectorMap to show the combination of powder and crystal regions.
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reviewing BraggVectorClassification and the PointListArray versus PointList inputs, including the calibrated BraggVectorMap and braggpeaks._v_uncal mentioned in the issue. Done should provide a documented way to generate a crystal phase map from combined single-crystal and powder regions while preserving calibrated data.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data, data-visualization
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100