Data quality metrics extracted from 7ouy.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": "e7dec7a9735a56f7fe3350648ddf8223",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.250,
    "b": 54.960,
    "c": 93.895,
    "alpha": 99.508,
    "beta": 94.805,
    "gamma": 98.375
  },
  "wavelengths": [0.87310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.1,1.5],
    "number_observations_unique": 151776,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.04
      },
      {
        "type": "Completeness",
        "value": 90.79
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.5],
      "number_observations_unique": 13190,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.206
        }
      ]
    }
  ]

}
  

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


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