Data quality metrics extracted from 7ozd.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": "50bd529c61f68dee0c591ddd172379cc",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 207.30,
    "b": 57.51,
    "c": 65.97,
    "alpha": 90.00,
    "beta": 107.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.01,1.82],
    "number_observations_unique": 66115,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "R(meas)",
        "value": 0.035
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 16.7
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.82],
      "number_observations_unique": 4910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.836
        },
        {
          "type": "R(meas)",
          "value": 1.033
        },
        {
          "type": "R(pim)",
          "value": 0.598
        },
        {
          "type": "CC(1/2)",
          "value": 0.688
        }
      ]
    }
  ]

}
  

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


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