Data quality metrics extracted from 7bzk.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": "7654b77d83b995c551ff4902c7104d10",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.985,
    "b": 60.762,
    "c": 61.056,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.0845,1.5935],
    "number_observations_unique": 27925,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1197
      },
      {
        "type": "R(meas)",
        "value": 0.1301
      },
      {
        "type": "R(pim)",
        "value": 0.05048
      },
      {
        "type": "I/SigI",
        "value": 10.400
      },
      {
        "type": "Completeness",
        "value": 99.89
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.651,1.5935],
      "number_observations_unique": 2737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7606
        },
        {
          "type": "R(meas)",
          "value": 0.8309
        },
        {
          "type": "R(pim)",
          "value": 0.3309
        },
        {
          "type": "Completeness",
          "value": 99.56
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    }
  ]

}
  

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


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