Data quality metrics extracted from 7s8h.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": "73d14f680d642f588a560faab362746c",
  "space_group_name": "P 3 2 1",
  "unit_cell": {
    "a": 163.058,
    "b": 163.058,
    "c": 173.548,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03319],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.180,2.700],
    "number_observations_unique": 73503,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.530
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 10.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.800,2.700],
      "number_observations_unique": 7267,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.26
        }
      ]
    }
  ]

}
  

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


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