Data quality metrics extracted from 5dk1.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": "155cb02605b63d48701b26dc86207804",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 41.037,
    "b": 53.297,
    "c": 124.927,
    "alpha": 90.00,
    "beta": 91.97,
    "gamma": 90.00
  },
  "wavelengths": [0.68800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.426,0.938],
    "number_observations_unique": 173768,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 13.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 10.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.951,0.9382],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 80
        },
        {
          "type": "Redundancy",
          "value": 9.9
        }
      ]
    }
  ]

}
  

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


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