Data quality metrics extracted from 27jk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "28b12b4902d9aa6100b27d49e39773ab",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 50.90,
    "b": 64.77,
    "c": 76.52,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.2,1.84],
    "number_observations_unique": 11165,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 26.1
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 9.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.84],
      "number_observations_unique": 623,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    }
  ]

}
  

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


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