search

rs-station / laue-dials

A package for analyzing Laue x-ray crystallography data using the DIALS framework.
https://rs-station.github.io/laue-dials/
MIT License
4 stars 3 forks source link

laue.optimize indexing should have sequential mode #48

Open PrinceWalnut opened 9 months ago

PrinceWalnut commented 9 months ago

A mode for using crystal rotations from adjacent images as initial estimates (instead of hardcoded orientation matrices being used). This is similar to Precognition's progressive mode. Would imply a restriction on multiprocessing, but could account for errors like crystal slippage by propagating offsets throughout a dataset.

PrinceWalnut commented 9 months ago

Possibly use the best-RMSD from laue.index -- make this parameter user-provided, with a default in the middle or using best-RMSD of the dataset (start with middle for initial implementation).