Data quality metrics extracted from 6xnk.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": "4623205f1015b904bccd04979c88d2e2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.660,
    "b": 49.595,
    "c": 61.556,
    "alpha": 77.967,
    "beta": 79.015,
    "gamma": 90.189
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.12,2.08],
    "number_observations_unique": 22075,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 3.05
      },
      {
        "type": "Completeness",
        "value": 90.5
      },
      {
        "type": "Redundancy",
        "value": 3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.08],
      "number_observations_unique": 1757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 72.4
        }
      ]
    }
  ]

}
  

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


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