Data quality metrics extracted from 6qil.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": "acb8af800ac1234f2cfb1da081ed8c58",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.824,
    "b": 84.304,
    "c": 89.372,
    "alpha": 96.24,
    "beta": 93.75,
    "gamma": 106.98
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.548,1.88],
    "number_observations_unique": 57497,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 11.7
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.124,1.88],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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