Data quality metrics extracted from 5zcg.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": "511fe79c1228cacb12e95e74469714f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.738,
    "b": 76.351,
    "c": 77.942,
    "alpha": 62.96,
    "beta": 72.04,
    "gamma": 66.93
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.95,1.97],
    "number_observations_unique": 89408,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0675
      },
      {
        "type": "R(pim)",
        "value": 0.04617
      },
      {
        "type": "I/SigI",
        "value": 16.61
      },
      {
        "type": "Completeness",
        "value": 95.82
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.041,1.97],
      "number_observations_unique": 7413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3323
        },
        {
          "type": "R(pim)",
          "value": 0.2208
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    }
  ]

}
  

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


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