Data quality metrics extracted from 7kzd.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": "f315aa25e62d6d1551dfc77b54eb2f29",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.94,
    "b": 93.58,
    "c": 106.89,
    "alpha": 108.84,
    "beta": 92.33,
    "gamma": 90.08
  },
  "wavelengths": [0.81400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.4130,1.9],
    "number_observations_unique": 257845,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 6.86
      },
      {
        "type": "Completeness",
        "value": 95.92
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 25515,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.641
        },
        {
          "type": "I/SigI",
          "value": 1.90
        },
        {
          "type": "Completeness",
          "value": 95.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.716
        }
      ]
    }
  ]

}
  

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


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