Data quality metrics extracted from 3zkd.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": "015ce08a708cb74b12f6c7126f63b247",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.953,
    "b": 97.851,
    "c": 138.075,
    "alpha": 108.21,
    "beta": 105.18,
    "gamma": 91.04
  },
  "wavelengths": [0.97955],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,2.95],
    "number_observations_unique": 64548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 10.80
      },
      {
        "type": "Completeness",
        "value": 84.5
      },
      {
        "type": "Redundancy",
        "value": 1.68
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.95],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 1.90
        },
        {
          "type": "Completeness",
          "value": 86.2
        }
      ]
    }
  ]

}
  

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


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