Data quality metrics extracted from 9gk1.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": "2cced45259db41ff7998dfb0d634b2e1",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 79.95,
    "b": 103.74,
    "c": 128.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.75,2.95],
    "number_observations_unique": 11603,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.758752
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 416.91
      },
      {
        "type": "CC(1/2)",
        "value": 0.9953922
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.95],
      "number_observations_unique": 547,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 282.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.5453646
        }
      ]
    }
  ]

}
  

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


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