Data quality metrics extracted from 9bkx.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": "94231832e20b85ab3357c74973d7d97d",
  "space_group_name": "P 21 3",
  "unit_cell": {
    "a": 313.451,
    "b": 313.451,
    "c": 313.451,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.56,3.15],
    "number_observations_unique": 174789,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.204
      },
      {
        "type": "R(meas)",
        "value": 0.257
      },
      {
        "type": "R(pim)",
        "value": 0.155
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.957
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.2,3.15],
      "number_observations_unique": 8661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.887
        },
        {
          "type": "R(meas)",
          "value": 1.125
        },
        {
          "type": "R(pim)",
          "value": 0.683
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    }
  ]

}
  

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


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