Data quality metrics extracted from 8s80.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": "1eee2602cd53f9f632855bb3dc686a4b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.304,
    "b": 63.539,
    "c": 73.659,
    "alpha": 68.31,
    "beta": 81.61,
    "gamma": 82.74
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.48,2.478],
    "number_observations_unique": 34369,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.521,2.478],
      "number_observations_unique": 1715,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    }
  ]

}
  

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


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