Data quality metrics extracted from 7ked.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": "54f2269e0a081849175aa88eb0e1ff70",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 169.89,
    "b": 223.01,
    "c": 194.70,
    "alpha": 90.0,
    "beta": 101.6,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [96.260,3.550],
    "number_observations": 267013,
    "number_observations_unique": 82834,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.317
      },
      {
        "type": "R(meas)",
        "value": 0.382
      },
      {
        "type": "R(pim)",
        "value": 0.210
      },
      {
        "type": "I/SigI",
        "value": 2.300
      },
      {
        "type": "Completeness",
        "value": 96.900
      },
      {
        "type": "Redundancy",
        "value": 3.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.893
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.620,3.550],
      "number_observations": 14436,
      "number_observations_unique": 4583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.503
        },
        {
          "type": "R(meas)",
          "value": 1.819
        },
        {
          "type": "R(pim)",
          "value": 1.007
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.322
        }
      ]
    },
    {
      "resolution_limits": [96.260,18.450],
      "number_observations": 2257,
      "number_observations_unique": 635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 5.200
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    }
  ]

}
  

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


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