Data quality metrics extracted from 8qxp.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": "36d62e6349305eb23e1b069640d09ae7",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 87.928,
    "b": 138.636,
    "c": 52.968,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.97,3.2],
    "number_observations_unique": 5639,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 64
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.855
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.315,3.2],
      "number_observations_unique": 560,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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