Data quality metrics extracted from 5nk3.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": "ce04544c328dcbb95b115ee3086b8752",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.804,
    "b": 40.918,
    "c": 52.010,
    "alpha": 75.90,
    "beta": 80.88,
    "gamma": 70.53
  },
  "wavelengths": [0.91990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.769,1.586],
    "number_observations_unique": 32062,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 6.45
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 2.55
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.681,1.586],
      "number_observations_unique": 4935,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.045
        },
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 91.6
        },
        {
          "type": "Redundancy",
          "value": 2.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.506
        }
      ]
    }
  ]

}
  

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


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