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use centering_method in the bragg peak location calculation #278

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merged 21 commits into from
Jul 18, 2022
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@carnisj carnisj commented Jul 11, 2022

Calculate the Bragg peak position for the three methods "max", "com" and "max_com" and plot the results to compare their efficiency. The type of centering_method is changed to dict in order to provide different methods for direct and reciprocal space (e.g. {"direct_space": "max_com", "reciprocal_space": "max"}).

Fixes #276

  • Breaking change (will cause existing functionality to not work as expected)

The signature of the methods find_bragg and show_rocking_curve has changed.

Checklist:

  • I have made corresponding changes to the documentation
  • I have added corresponding unit tests
  • I have run doit and all tasks have passed
    capture

@carnisj carnisj marked this pull request as draft July 11, 2022 20:02
@carnisj carnisj self-assigned this Jul 11, 2022
@carnisj carnisj added enhancement New feature or request ongoing labels Jul 11, 2022
@carnisj carnisj marked this pull request as ready for review July 17, 2022 14:11
@carnisj carnisj requested review from DSimonne and clatlan July 17, 2022 14:11
@carnisj carnisj marked this pull request as draft July 17, 2022 14:12
@carnisj carnisj marked this pull request as ready for review July 17, 2022 19:13
The Bragg peak position can be determined by other methods than the COM (e.g. MAX, MAXCOM)
@carnisj carnisj merged commit 7033d36 into main Jul 18, 2022
@carnisj carnisj deleted the centering branch July 18, 2022 19:54
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[FEAT] Post-processing Bragg Peak determination method
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