Add individual and grouped error model refinement in dials.scale #1684
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in dials.scale As part of tidying up, an option was also added to allow no error model refinement, whereby the existing or given error model is used and not refined.
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I have found that optimising a separate error model for individual sweeps (or groups of sweeps for a multiple inverse-beam data collection) can improve data quality for phasing and refinement and give more reasonable error model parameters.
This PR adds these options, although keeps the default behaviour the same for now (one combined error model for all sweeps). I plan to do further testing once this is in to determine what might be sensible auto-determined behaviour (e.g. individual error models for multiple full sweeps, combined error model for multi-crystal data or small molecule experiments).
error_model.grouping=individual: One error model optimised per sweeperror_model.grouping=grouped error_model_group=0,1 error_model_group=2,3: Determine a shared error model for sweeps 0 & 1, a different shared error model for sweeps 2 & 3 etc. Intended for inverse-beam experiments.error_model.grouping=combined: One error model optimised for the whole dataset (current behaviour).