Data quality metrics extracted from 4zgu.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": "b7e1df59faec3192092dd5c507fa54ce",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.596,
    "b": 54.335,
    "c": 68.588,
    "alpha": 108.13,
    "beta": 97.03,
    "gamma": 104.09
  },
  "wavelengths": [1.07810],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.49],
    "number_observations_unique": 77520,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 47.91
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.49],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "Completeness",
          "value": 89.9
        }
      ]
    }
  ]

}
  

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


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