Data quality metrics extracted from 8wka.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": "fbfc6800911e74d3b2629eb5e2d692ec",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.666,
    "b": 115.182,
    "c": 83.461,
    "alpha": 90.00,
    "beta": 101.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [115.18,1.99],
    "number_observations": 570960,
    "number_observations_unique": 85655,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.200
      },
      {
        "type": "R(meas)",
        "value": 0.217
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.947
      }
    ]
  }
}
  

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


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