Data quality metrics extracted from 8q8k.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": "76a8f673aba4333bc348b7b416133804",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 107.237,
    "b": 85.696,
    "c": 139.064,
    "alpha": 90.00,
    "beta": 95.96,
    "gamma": 90.00
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.88,2.70],
    "number_observations_unique": 34296,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "R(meas)",
        "value": 0.07
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  }
}
  

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


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