Data quality metrics extracted from 7rry.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": "2ebd10d357033a67d122a421eaebdcf1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.416,
    "b": 59.119,
    "c": 93.522,
    "alpha": 86.54,
    "beta": 74.98,
    "gamma": 63.19
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.134,1.869],
    "number_observations_unique": 61892,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 76
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.045,1.869],
      "number_observations_unique": 2861,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.49
        }
      ]
    }
  ]

}
  

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


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