Data quality metrics extracted from 7oc9.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": "c8f679889f4fab262b6714f6f71c8183",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 53.49,
    "b": 69.67,
    "c": 85.85,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.43,1.5],
    "number_observations_unique": 25800,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04177
      },
      {
        "type": "I/SigI",
        "value": 24.27
      },
      {
        "type": "Completeness",
        "value": 98.97
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.5],
      "number_observations_unique": 2533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.887
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    }
  ]

}
  

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


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