Data quality metrics extracted from 7k7z.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": "25e730877ce5af023161ec3005f9a576",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 194.679,
    "b": 70.689,
    "c": 111.503,
    "alpha": 90.00,
    "beta": 110.46,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.60],
    "number_observations_unique": 43160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 9.96
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.6],
      "number_observations_unique": 2147,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.577
        }
      ]
    }
  ]

}
  

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


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