Data quality metrics extracted from 5ooq.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": "8116f2cdead9b1edd35a35873dcba174",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.231,
    "b": 151.370,
    "c": 133.043,
    "alpha": 90.00,
    "beta": 92.72,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.5,3.2],
    "number_observations_unique": 55220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.0048
      },
      {
        "type": "I/SigI",
        "value": 14
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.3,3.2],
      "number_observations_unique": 4762,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.9083
        },
        {
          "type": "Completeness",
          "value": 94.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    }
  ]

}
  

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


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