Data quality metrics extracted from 8opr.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": "af0f36a12c7e7636f93fe89984c2acb9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.927,
    "b": 74.297,
    "c": 87.649,
    "alpha": 107.85,
    "beta": 101.14,
    "gamma": 112.42
  },
  "wavelengths": [0.98112],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.35,1.811],
    "number_observations_unique": 73143,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.038,1.811],
      "number_observations_unique": 3659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.550
        },
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    }
  ]

}
  

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


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