Data quality metrics extracted from 8c0u.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": "eb2eeb2327610d12fdf28e6a34e3981c",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 90.583,
    "b": 90.583,
    "c": 174.478,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.764,2.11],
    "number_observations_unique": 42080,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 18.41
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 24.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.11],
      "number_observations_unique": 2106,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.785
        },
        {
          "type": "I/SigI",
          "value": 1.555
        },
        {
          "type": "Completeness",
          "value": 64.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.518
        }
      ]
    }
  ]

}
  

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


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