Data quality metrics extracted from 8uzl.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": "44a00b6c6aca3c5ab4038251d8e8f427",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.628,
    "b": 52.552,
    "c": 100.050,
    "alpha": 90.000,
    "beta": 93.675,
    "gamma": 90.000
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.51,2.5],
    "number_observations_unique": 38215,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1255
      },
      {
        "type": "R(pim)",
        "value": 0.06884
      },
      {
        "type": "I/SigI",
        "value": 4.26
      },
      {
        "type": "Completeness",
        "value": 98.87
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.58,2.50],
      "number_observations_unique": 1961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9234
        },
        {
          "type": "R(pim)",
          "value": 0.4931
        },
        {
          "type": "I/SigI",
          "value": 0.36
        },
        {
          "type": "Completeness",
          "value": 98.54
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    }
  ]

}
  

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


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