Data quality metrics extracted from 4pdq.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": "0dcb98a7cd91aba96a1915688af59137",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 103.657,
    "b": 103.657,
    "c": 44.572,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.600,3.000],
    "number_observations_unique": 3522,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.6000
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 5.600
      }
    ]
  }
}
  

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


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