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Add activate scripts, direct access to params, return unchanged expts and refls
This reverts commit 024a593.
- Quote SLURM_ARRAY_TASK_ID variable in bash conditionals (fixes local execution) - Validate bin_start_eV and bin_end_eV are set in width binning mode - Validate activation script paths exist before script generation Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
- Quote all file path variables in bash template (fixes space-in-path issues) - Validate activation scripts are SET before checking existence - Validate phenix input files exist - Move parameter validation to start of run() for fail-fast behavior - Add warning logging for excluded experiments in width mode Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
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Quasi-monochromatic SpReAD refinements via the moving-window approach. This PR adds a cctbx.xfel.merge worker that prepares a large Slurm array job containing all the partial-dataset merges and finishing with a parallel run of all Phenix refinements. Equal-width and equal-count binning modes are supported. Some documentation is included.