Data quality metrics extracted from 8fqu.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": "76ab9f7cce90051b1f28eb1ee92140cd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.517,
    "b": 172.435,
    "c": 49.470,
    "alpha": 90.00,
    "beta": 111.68,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.22,1.49],
    "number_observations_unique": 81281,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 92
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.49],
      "number_observations_unique": 4063,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.478
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.595
        }
      ]
    }
  ]

}
  

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


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