Data quality metrics extracted from 9s8s.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": "f94eb52231777adee9a67a073c88083c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 174.173,
    "b": 66.652,
    "c": 119.705,
    "alpha": 90.000,
    "beta": 121.665,
    "gamma": 90.000
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.87,2.65],
    "number_observations_unique": 64742,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 7
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.81,2.65],
      "number_observations_unique": 10560,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.381
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    }
  ]

}
  

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


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