Data quality metrics extracted from 5nk5.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": "b21ffcac5095d3c0408ac029391a0be2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.528,
    "b": 106.483,
    "c": 39.390,
    "alpha": 90.00,
    "beta": 95.25,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.401,1.329],
    "number_observations_unique": 59439,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 11.36
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 3.51
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.411,1.329],
      "number_observations_unique": 9417,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.270
        },
        {
          "type": "I/SigI",
          "value": 1.07
        },
        {
          "type": "Completeness",
          "value": 95.1
        },
        {
          "type": "Redundancy",
          "value": 3.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.414
        }
      ]
    }
  ]

}
  

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


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