Data quality metrics extracted from 9qye.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": "605a8195b9a6a4bff00f6b538a3209ac",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 77.139,
    "b": 77.139,
    "c": 124.048,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.5,1.44],
    "number_observations_unique": 49251,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.3
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.46,1.44],
      "number_observations_unique": 2408,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.25
        }
      ]
    }
  ]

}
  

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


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