Data quality metrics extracted from 1kaf.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "0e6ba2df62d59b41ee5c67d976d3f006",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.284,
    "b": 54.733,
    "c": 91.445,
    "alpha": 94.77,
    "beta": 91.10,
    "gamma": 95.61
  },
  "wavelengths": [0.97950,0.97890,0.96360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.6],
    "number_observations_unique": 60440,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 92
      },
      {
        "type": "Redundancy",
        "value": 7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.6],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):