Data quality metrics extracted from 7s01.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": "ccc19fda85e4a08d08ce7d74776ce840",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 176.925,
    "b": 110.455,
    "c": 222.379,
    "alpha": 90.00,
    "beta": 98.52,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.380],
    "number_observations_unique": 59745,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.9400
      },
      {
        "type": "Completeness",
        "value": 94.0
      },
      {
        "type": "Redundancy",
        "value": 2.880
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.58,3.38],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 83.9
        },
        {
          "type": "Redundancy",
          "value": 2.58
        }
      ]
    }
  ]

}
  

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


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