Data quality metrics extracted from 3zk9.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": "677b1701d0c296d872960bab637b8837",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.04,
    "b": 59.78,
    "c": 62.40,
    "alpha": 106.92,
    "beta": 103.91,
    "gamma": 97.37
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.46,1.45],
    "number_observations_unique": 91166,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 21.10
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20
        },
        {
          "type": "I/SigI",
          "value": 4.80
        },
        {
          "type": "Completeness",
          "value": 85.5
        },
        {
          "type": "Redundancy",
          "value": 2.9
        }
      ]
    }
  ]

}
  

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


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