Data quality metrics extracted from 7bbd.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": "a7c145720bd21c03f95911898fa95adf",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.15,
    "b": 108.36,
    "c": 75.14,
    "alpha": 90.00,
    "beta": 104.99,
    "gamma": 90.00
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.99,2.2],
    "number_observations_unique": 38727,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04551
      },
      {
        "type": "R(meas)",
        "value": 0.04914
      },
      {
        "type": "R(pim)",
        "value": 0.01839
      },
      {
        "type": "I/SigI",
        "value": 20.18
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  }
}
  

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


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