Data quality metrics extracted from 8sjs.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": "19b0b3bf2aab234238223408547e5f48",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 194.203,
    "b": 194.203,
    "c": 55.434,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.102,6.307],
    "number_observations_unique": 2039,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 86.1
      },
      {
        "type": "Redundancy",
        "value": 19.4
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [7.018,6.307],
      "number_observations_unique": 207,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.305
        }
      ]
    },
    {
      "resolution_limits": [97.102,15.535],
      "number_observations_unique": 204,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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