Data quality metrics extracted from 8wzq.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": "28838f6c9e11d3846f6c7ff30b7f14ce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.518,
    "b": 98.055,
    "c": 58.831,
    "alpha": 90.000,
    "beta": 108.117,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.91,1.66],
    "number_observations_unique": 65584,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 92.9
      },
      {
        "type": "Redundancy",
        "value": 6.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.66],
      "number_observations_unique": 10135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        }
      ]
    }
  ]

}
  

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


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