Data quality metrics extracted from 3zk8.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": "db682a1c5036eb471dfb0b8b69b08b55",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.77,
    "b": 59.07,
    "c": 62.21,
    "alpha": 106.40,
    "beta": 105.05,
    "gamma": 93.55
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.65,1.65],
    "number_observations_unique": 57680,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 17.40
      },
      {
        "type": "Completeness",
        "value": 92.4
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 60.5
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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