Data quality metrics extracted from 5z0a.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": "6b51f7ced43142ec8ef5b44e28c49347",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 90.843,
    "b": 94.951,
    "c": 101.906,
    "alpha": 110.62,
    "beta": 101.47,
    "gamma": 113.03
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.8,2.09],
    "number_observations_unique": 154041,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 22.0
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.09],
      "number_observations_unique": 7531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        }
      ]
    }
  ]

}
  

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


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