Data quality metrics extracted from 4xur.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": "4f2b4a5911d9c6563f79ac933ece43db",
  "space_group_name": "P 32",
  "unit_cell": {
    "a": 92.769,
    "b": 92.769,
    "c": 48.571,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.87290],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.55,1.67],
    "number_observations": 307899,
    "number_observations_unique": 54496,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 5.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.67],
      "number_observations_unique": 7920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.3
        }
      ]
    }
  ]

}
  

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


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