Data quality metrics extracted from 6b9e.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": "5035dd34f35a6852e45b9e517f11d80d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.062,
    "b": 68.107,
    "c": 76.016,
    "alpha": 116.85,
    "beta": 90.77,
    "gamma": 98.50
  },
  "wavelengths": [0.63100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.75,1.99],
    "number_observations_unique": 60236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  }
}
  

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


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