Data quality metrics extracted from 12kz.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": "488e8420688e63b2ca7cbeb6cb0c802f",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 93.777,
    "b": 93.777,
    "c": 120.471,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.45],
    "number_observations_unique": 69153,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 13.12
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 5.06
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.45],
      "number_observations_unique": 11137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.308
        },
        {
          "type": "I/SigI",
          "value": 1.15
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 4.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    }
  ]

}
  

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


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