Data quality metrics extracted from 8zub.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d9dcba9eee8660ad3a6853f1240fdc37",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.579,
    "b": 99.369,
    "c": 58.620,
    "alpha": 90.00,
    "beta": 108.07,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.66,1.8],
    "number_observations_unique": 55963,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 24.96
      },
      {
        "type": "Completeness",
        "value": 99.87
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 2857,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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