Data quality metrics extracted from 7s6z.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": "f14a0e25b23831a53b967a579c3d7f18",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 54.262,
    "b": 81.306,
    "c": 85.669,
    "alpha": 90.00,
    "beta": 97.43,
    "gamma": 90.00
  },
  "wavelengths": [1.54301],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.20,1.85],
    "number_observations_unique": 31513,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 11.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.85],
      "number_observations_unique": 1941,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    }
  ]

}
  

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


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