File: insulin_processed.yml

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name: Insulin processed
author: Richard Gildea (2020)
license: CC-BY 4.0
description: >
  dials-data dataset 'insulin' processed using dials with:
    $ dials.import $(dials.data get -q insulin)/insulin_1_*.img
    $ dials.find_spots imported.expt nproc=8
    $ dials.index imported.expt strong.refl space_group=I23
    $ dials.refine indexed.{expt,refl}
    $ dials.integrate refined.{expt,refl} nproc=8
    $ dials.symmetry integrated.{expt,refl}
    $ dials.scale symmetrized.{expt,refl}

data:
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/imported.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/strong.refl
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/indexed.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/indexed.refl
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/integrated.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/integrated.refl
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/refined.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/refined.refl
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/scaled.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/scaled.refl
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/symmetrized.expt
  - url: https://github.com/dials/data-files/raw/4ccd4932291c258316530597e40e252d1f5e37c2/insulin_processed/symmetrized.refl