Data quality metrics extracted from 12zg.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "4112fad8dfd176fea9fe5f56034b8e7f",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 52.477,
    "b": 81.980,
    "c": 91.743,
    "alpha": 90.00,
    "beta": 95.45,
    "gamma": 90.00
  },
  "wavelengths": [1.54060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.51,1.80],
    "number_observations_unique": 34963,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 12.39
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.970
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "number_observations_unique": 3491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.613
        },
        {
          "type": "R(pim)",
          "value": 0.333
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "Completeness",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.647
        }
      ]
    }
  ]

}
  

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


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