Data quality metrics extracted from 8cse.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": "a3ae4f604d1c95fb6d6237b982280dd8",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 92.38,
    "b": 158.02,
    "c": 117.58,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.76,2.3],
    "number_observations_unique": 38441,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 16
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.3],
      "number_observations_unique": 2366,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.792
        }
      ]
    }
  ]

}
  

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


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