Data quality metrics extracted from 8s6a.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": "d30282c85af45de2d0aeade94e9ec46f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.91,
    "b": 42.56,
    "c": 48.29,
    "alpha": 90.00,
    "beta": 96.09,
    "gamma": 90.00
  },
  "wavelengths": [1.34180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.02,1.36],
    "number_observations_unique": 40696,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 17.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.36],
      "number_observations_unique": 1995,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 1.421
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.221
        }
      ]
    }
  ]

}
  

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


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