Data quality metrics extracted from 6k4f.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": "39a1e66ae8b6f5214183978da59beb06",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 35.4,
    "b": 72.8,
    "c": 95.8,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.96,1.735],
    "number_observations_unique": 13113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09846
      },
      {
        "type": "R(pim)",
        "value": 0.03468
      },
      {
        "type": "I/SigI",
        "value": 12.05
      },
      {
        "type": "Completeness",
        "value": 98.94
      },
      {
        "type": "Redundancy",
        "value": 8.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.797,1.735],
      "number_observations_unique": 1176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.129
        },
        {
          "type": "R(pim)",
          "value": 0.4561
        },
        {
          "type": "CC(1/2)",
          "value": 0.62
        }
      ]
    }
  ]

}
  

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


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