Data quality metrics extracted from 4wyy.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": "47f0a872b6e700274f4662e40b7ee6b8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.745,
    "b": 70.824,
    "c": 106.230,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.12,1.28],
    "number_observations_unique": 84509,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.35,1.28],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 78.8
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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