Data quality metrics extracted from 5zgn.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": "fb62a25e3b9261e244e21a87a89aa1ac",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.046,
    "b": 62.044,
    "c": 61.994,
    "alpha": 93.83,
    "beta": 93.99,
    "gamma": 93.93
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.240],
    "number_observations_unique": 38226,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07600
      },
      {
        "type": "I/SigI",
        "value": 19.4000
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.24],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31100
        },
        {
          "type": "Completeness",
          "value": 92.1
        },
        {
          "type": "Redundancy",
          "value": 2.50
        }
      ]
    }
  ]

}
  

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


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