Data quality metrics extracted from 6ryl.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": "d29030ddc1d4143dc7bb565a5b447204",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 82.663,
    "b": 45.914,
    "c": 87.535,
    "alpha": 90.00,
    "beta": 102.88,
    "gamma": 90.00
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.92,2.63],
    "number_observations_unique": 19403,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.03845
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.38
      },
      {
        "type": "Redundancy",
        "value": 4.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.724,2.63],
      "number_observations_unique": 1907,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.552
        }
      ]
    }
  ]

}
  

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


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