Data quality metrics extracted from 8cks.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": "6bba1b8d2bed9295f733a6fd0c1c61a7",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 94.668,
    "b": 57.817,
    "c": 129.361,
    "alpha": 90.000,
    "beta": 109.225,
    "gamma": 90.000
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.571,2.60],
    "number_observations_unique": 20485,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.108
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 13.6
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 9.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  }
}
  

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


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