dials.sequence_to_stills does not work on imported, strong data

[graeme-winter]

Working with @maggie-klureza found that you cannot run dials.sequences_to_stills on unindexed data - this is a shame

Grey-Area tmp :) $ dials.sequence_to_stills imported_summed_raw_EFX53_01.expt strong_summed_raw_EFX53_01.refl 
The following parameters have been modified:

input {
  experiments = imported_summed_raw_EFX53_01.expt
  reflections = strong_summed_raw_EFX53_01.refl
}

DIALS (2018) Acta Cryst. D74, 85-97. https://doi.org/10.1107/S2059798317017235
Traceback (most recent call last):
  File "/Users/graeme/git/dials/build/../modules/dials/src/dials/command_line/sequence_to_stills.py", line 276, in <module>
    run()
  File "/Users/graeme/git/dials/conda_base/lib/python3.10/contextlib.py", line 79, in inner
    return func(*args, **kwds)
  File "/Users/graeme/git/dials/build/../modules/dials/src/dials/command_line/sequence_to_stills.py", line 265, in run
    (new_experiments, new_reflections) = sequence_to_stills(
  File "/Users/graeme/git/dials/build/../modules/dials/src/dials/command_line/sequence_to_stills.py", line 92, in sequence_to_stills
    raise RuntimeError(f"Expected key not found in reflection table: {key}")
RuntimeError: Please report this error to dials-support@lists.sourceforge.net: Expected key not found in reflection table: miller_index

This probably should be something you could do?

[phyy-nx]

Probably ya. The original intent of this program was to handle a) the half oscillation angle offset needed to break up a scan into stills, and b) to split up 3d reflections into 2d reflections. For unindexed data, a) isn't relevant but b) is still valid.

I'd re-write the code as follows:

• This for loop should copy all keys across instead of individual keys
• This code needs to be put in a check for if expt.crystal is not None
• This for loop is probably fine, I think those column names are in the strong refl table
• Re-predicting predicted centroid locations should be skipped

I'd tag the laue_dials folks in the PR as sequences_to_stills in their pipeline.