Data quality metrics extracted from 8fuq.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": "667c7a898755cf47da2840f6372b15bd",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 67.050,
    "b": 44.097,
    "c": 111.787,
    "alpha": 90.00,
    "beta": 100.44,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.53,1.80],
    "number_observations_unique": 30167,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 2.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.80],
      "number_observations_unique": 1797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.521
        },
        {
          "type": "R(pim)",
          "value": 2.753
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.248
        }
      ]
    }
  ]

}
  

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


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