Enforcing Unit Cell during laue.optimize_indexing can have bad orientation

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

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Enforcing Unit Cell during laue.optimize_indexing can have bad orientation #59

Open PrinceWalnut opened 5 months ago

PrinceWalnut commented 5 months ago

The crystal U matrix is kept from the initial estimate, but in cases where the user supplies a unit cell that is not a simple rescale of the initial cell, this matrix needs to be recalculated accordingly