Data quality metrics extracted from 7exk.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": "d12b226cc3f598064b24c90645e9dd89",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.063,
    "b": 52.428,
    "c": 134.625,
    "alpha": 90.000,
    "beta": 90.553,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.9,2.14],
    "number_observations_unique": 61984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 15.46
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.14],
      "number_observations_unique": 7982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 4.49
        },
        {
          "type": "Completeness",
          "value": 76.5
        },
        {
          "type": "Redundancy",
          "value": 3.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    }
  ]

}
  

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


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