Data quality metrics extracted from 5wze.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": "8f6aa1f52924e0ba2b123f4cdfbbdd62",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 111.197,
    "b": 123.432,
    "c": 149.485,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97776],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,1.783],
    "number_observations_unique": 194517,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.714
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 8.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8275,1.783],
      "number_observations_unique": 18600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.709
        }
      ]
    }
  ]

}
  

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


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