Data quality metrics extracted from 8jh6.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": "b25a943a6e239328680e1891de0cee43",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.362,
    "b": 42.483,
    "c": 43.994,
    "alpha": 90.53,
    "beta": 97.91,
    "gamma": 110.83
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.42,1.8],
    "number_observations_unique": 20692,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1038
      },
      {
        "type": "I/SigI",
        "value": 16.65
      },
      {
        "type": "Completeness",
        "value": 96.90
      },
      {
        "type": "Redundancy",
        "value": 9.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 2084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.517
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    }
  ]

}
  

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


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