Data quality metrics extracted from 8iw3.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": "a8e5ab1ab1d986c642bb236b45ed76c4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.36,
    "b": 140.03,
    "c": 58.26,
    "alpha": 90.00,
    "beta": 101.41,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.1,1.56],
    "number_observations_unique": 113711,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 10.1
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6,1.56],
      "number_observations_unique": 8347,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.423
        },
        {
          "type": "CC(1/2)",
          "value": 0.648
        }
      ]
    }
  ]

}
  

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


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