Data quality metrics extracted from 1qhf.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": "9d09cb3b42900c3bd83755726fbcb27c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.4,
    "b": 85.9,
    "c": 81.9,
    "alpha": 90.0,
    "beta": 120.6,
    "gamma": 90.0
  },
  "wavelengths": [0.88900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22,1.7],
    "number_observations_unique": 42944,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "Completeness",
        "value": 82.5
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,1.7],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77.2
        }
      ]
    }
  ]

}
  

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


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