Data quality metrics extracted from 8ak4.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": "b6ea91dc82d6d53e82f6846a96dab07b",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 70.844,
    "b": 73.434,
    "c": 149.942,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [149.94,3.36],
    "number_observations_unique": 7848,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.218
      },
      {
        "type": "R(pim)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 67.1
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  }
}
  

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


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