Data quality metrics extracted from 7kad.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": "3417428bce7575f84446f31c05e61c5b",
  "space_group_name": "P 32",
  "unit_cell": {
    "a": 102.689,
    "b": 102.689,
    "c": 240.275,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.277,2.506],
    "number_observations_unique": 97233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1507
      },
      {
        "type": "R(meas)",
        "value": 0.1605
      },
      {
        "type": "R(pim)",
        "value": 0.05497
      },
      {
        "type": "I/SigI",
        "value": 8.42
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 8.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.596,2.506],
      "number_observations_unique": 9617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.122
        },
        {
          "type": "R(meas)",
          "value": 1.194
        },
        {
          "type": "R(pim)",
          "value": 0.4061
        },
        {
          "type": "I/SigI",
          "value": 1.03
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.613
        }
      ]
    }
  ]

}
  

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


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