Data quality metrics extracted from 6i4k.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": "bccd6a8a50e497dfd5dadbd7527d4df2",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 69.83,
    "b": 71.38,
    "c": 110.93,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.8,1.83],
    "number_observations_unique": 94327,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1356
      },
      {
        "type": "R(meas)",
        "value": 0.1582
      },
      {
        "type": "R(pim)",
        "value": 0.08056
      },
      {
        "type": "I/SigI",
        "value": 8.34
      },
      {
        "type": "Completeness",
        "value": 99.80
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.895,1.83],
      "number_observations_unique": 9298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1356
        },
        {
          "type": "R(meas)",
          "value": 1.237
        },
        {
          "type": "R(pim)",
          "value": 0.7318
        },
        {
          "type": "I/SigI",
          "value": 0.91
        },
        {
          "type": "Completeness",
          "value": 98.52
        },
        {
          "type": "Redundancy",
          "value": 2.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.373
        }
      ]
    }
  ]

}
  

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


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