Data quality metrics extracted from 8s5r.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": "a08b9744647aeeeb55aa8c5eb79705e2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.999,
    "b": 51.957,
    "c": 58.628,
    "alpha": 88.333,
    "beta": 105.892,
    "gamma": 117.433
  },
  "wavelengths": [0.91677],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.82,2.1],
    "number_observations_unique": 51456,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.61
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 2675,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.939
        }
      ]
    }
  ]

}
  

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


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