Data quality metrics extracted from 22nw.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "08163881083930d26b4fff5edcd3e37a",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 79.252,
    "b": 97.766,
    "c": 97.918,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.88,1.87],
    "number_observations_unique": 31890,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 18.7
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.87],
      "number_observations_unique": 1577,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.246
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    }
  ]

}
  

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


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