Data quality metrics extracted from 8ckg.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": "c1272fdac4cdbee3436809d2b621cdec",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.081,
    "b": 29.286,
    "c": 90.429,
    "alpha": 90.00,
    "beta": 100.46,
    "gamma": 90.00
  },
  "wavelengths": [0.96860,2.75520],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.925,1.714],
    "number_observations_unique": 20985,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 70.7
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.855,1.714],
      "number_observations_unique": 1050,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.200
        },
        {
          "type": "R(meas)",
          "value": 3.769
        },
        {
          "type": "R(pim)",
          "value": 0.700
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 16.9
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.338
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.3],
      "number_observations_unique": 854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.673
        },
        {
          "type": "R(pim)",
          "value": 0.807
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 71.8
        },
        {
          "type": "Redundancy",
          "value": 19.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    }
  ]

}
  

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


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