Data quality metrics extracted from 9gk0.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": "a97f4731843ac19dab10dc4f589b8f43",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.052,
    "b": 60.703,
    "c": 91.994,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.64910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.37,0.95],
    "number_observations_unique": 172475,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 26.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.97,0.95],
      "number_observations_unique": 8380,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.442
        }
      ]
    }
  ]

}
  

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


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