Data quality metrics extracted from 8w9u.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": "ec0c17e1dd9c9aa7b240181da153088f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.763,
    "b": 46.959,
    "c": 50.090,
    "alpha": 110.33,
    "beta": 92.71,
    "gamma": 106.56
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.20,1.85],
    "number_observations_unique": 24862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.1298
      },
      {
        "type": "I/SigI",
        "value": 4.56
      },
      {
        "type": "Completeness",
        "value": 90.52
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.916,1.85],
      "number_observations_unique": 1626,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.752
        }
      ]
    }
  ]

}
  

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


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