Data quality metrics extracted from 1wyk.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": "fa3d96eb3d4dd41de1730c525435496a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.98,
    "b": 59.54,
    "c": 71.05,
    "alpha": 109.40,
    "beta": 101.50,
    "gamma": 90.14
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.0],
    "number_observations_unique": 28851,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0280000
      },
      {
        "type": "I/SigI",
        "value": 16.0
      },
      {
        "type": "Completeness",
        "value": 78.3
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0890000
        },
        {
          "type": "I/SigI",
        "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 28.8
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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