Data quality metrics extracted from 7sz8.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": "75b11dcb5bcb3e8e3251ced73bab4628",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.384,
    "b": 76.943,
    "c": 92.742,
    "alpha": 89.834,
    "beta": 87.776,
    "gamma": 76.235
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.378,2.337],
    "number_observations_unique": 47823,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.375
      },
      {
        "type": "Completeness",
        "value": 85.3
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.337],
      "number_observations_unique": 1953,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 8.824
        },
        {
          "type": "Completeness",
          "value": 82.5
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    }
  ]

}
  

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


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