Data quality metrics extracted from 4phd.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": "fae4b53130348d252458415568815fce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.245,
    "b": 79.954,
    "c": 54.403,
    "alpha": 90.00,
    "beta": 108.88,
    "gamma": 90.00
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.21],
    "number_observations_unique": 22218,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  }
}
  

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


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