Data quality metrics extracted from 6wk2.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": "178224ae11fa1a16ec144e65c636fa37",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.342,
    "b": 175.977,
    "c": 66.314,
    "alpha": 90.000,
    "beta": 92.578,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.65,1.76],
    "number_observations_unique": 129205,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.76],
      "number_observations_unique": 11330,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.396
        }
      ]
    }
  ]

}
  

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


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