Data quality metrics extracted from 8cqo.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": "ba08b25fd2f08f7540945cf7d0cb2483",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.440,
    "b": 52.720,
    "c": 94.991,
    "alpha": 90.00,
    "beta": 90.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97965],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.49,3.3],
    "number_observations_unique": 7221,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 5.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.56,3.30],
      "number_observations_unique": 1431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 94.1
        },
        {
          "type": "Redundancy",
          "value": 5.5
        }
      ]
    }
  ]

}
  

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


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