Data quality metrics extracted from 4qy1.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": "f0c29786f8d56b58cd89c3616b803f07",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 93.257,
    "b": 111.439,
    "c": 222.346,
    "alpha": 94.96,
    "beta": 101.17,
    "gamma": 91.90
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.594],
    "number_observations_unique": 262929,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    }
  ]

}
  

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


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