Data quality metrics extracted from 7zkf.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": "da54876f629a778d545645914a59ca31",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 99.96,
    "b": 99.96,
    "c": 99.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.98,1.49],
    "number_observations_unique": 24512,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 32.76
      },
      {
        "type": "Completeness",
        "value": 79.02
      },
      {
        "type": "Redundancy",
        "value": 16.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.546,1.493],
      "number_observations_unique": 718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7466
        },
        {
          "type": "I/SigI",
          "value": 0.81
        },
        {
          "type": "Completeness",
          "value": 23.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    }
  ]

}
  

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


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