Data quality metrics extracted from 3zsk.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": "dc161af65ed1ff996c8ee342c243397d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 35.83,
    "b": 58.20,
    "c": 62.54,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90778],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,0.90],
    "number_observations_unique": 93342,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 20.40
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 5.89
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.92,0.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.79
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "Completeness",
          "value": 87.3
        },
        {
          "type": "Redundancy",
          "value": 4.6
        }
      ]
    }
  ]

}
  

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


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