Data quality metrics extracted from 8axr.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": "5dcbb5e5bc9c9afe4abede288a2a4662",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 56.115,
    "b": 50.628,
    "c": 22.146,
    "alpha": 90.000,
    "beta": 101.079,
    "gamma": 90.000
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.94,1.50],
    "number_observations_unique": 9761,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "R(pim)",
        "value": 0.0335
      },
      {
        "type": "I/SigI",
        "value": 11.05
      },
      {
        "type": "Completeness",
        "value": 99.60
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "number_observations_unique": 948,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    }
  ]

}
  

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


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