Data quality metrics extracted from 1hqk.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": "fceb06956b3743eb168d772b2966e14d",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 180.82,
    "b": 180.82,
    "c": 180.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.33,1.6],
    "number_observations_unique": 125145,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0540000
      },
      {
        "type": "I/SigI",
        "value": 14.45
      },
      {
        "type": "Completeness",
        "value": 97.41
      },
      {
        "type": "Redundancy",
        "value": 3.44
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.60],
      "number_observations_unique": 38037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0360000
        },
        {
          "type": "Redundancy",
          "value": 2.4
        }
      ]
    }
  ]

}
  

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


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