Data quality metrics extracted from 4kxf.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": "9b292b02202a49f25c1eb0d48155a257",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 334.052,
    "b": 334.052,
    "c": 177.567,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,1.00800,1.06000,1.22500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99,3.2],
    "number_observations_unique": 150190,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.2],
      "number_observations_unique": 15039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "Completeness",
          "value": 92.2
        }
      ]
    }
  ]

}
  

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


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