Data quality metrics extracted from 9nkx.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": "5c6acf1b3586f7f33b02973bbfe201ad",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 104.025,
    "b": 104.025,
    "c": 97.350,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97935],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.120,4.589],
    "number_observations_unique": 3038,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 83.9
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [5.284,4.589],
      "number_observations_unique": 194,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.253
        }
      ]
    },
    {
      "resolution_limits": [66.120,10.402],
      "number_observations_unique": 193,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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