Data quality metrics extracted from 3qgy.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": "c28cbc6cd59490a396a01b3f0203a0c6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 125.860,
    "b": 74.381,
    "c": 78.833,
    "alpha": 90.000,
    "beta": 93.987,
    "gamma": 90.000
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.1],
    "number_observations_unique": 40537,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.2,2.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    }
  ]

}
  

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


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