Data quality metrics extracted from 6ruh.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": "210dec5ffd128ee3f3e5023bf6058eca",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 67.96,
    "b": 67.96,
    "c": 102.67,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.39,1.1],
    "number_observations_unique": 184806,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2197
      },
      {
        "type": "R(pim)",
        "value": 0.1319
      },
      {
        "type": "I/SigI",
        "value": 4.83
      },
      {
        "type": "Completeness",
        "value": 99.06
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.139,1.1],
      "number_observations_unique": 17305,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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