Data quality metrics extracted from 1zbl.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": "76a49808b65296fc19916a756626ded8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.897,
    "b": 44.983,
    "c": 62.280,
    "alpha": 83.63,
    "beta": 89.90,
    "gamma": 65.69
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.2],
    "number_observations_unique": 16268,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 88.4
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.2],
      "number_observations_unique": 1034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 56.3
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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