Data quality metrics extracted from 6u6k.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": "bbc62ceefd5ebe968c1b4bf951e9d58b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 121.957,
    "b": 41.903,
    "c": 29.538,
    "alpha": 90.000,
    "beta": 94.204,
    "gamma": 90.000
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.62,1.7],
    "number_observations_unique": 16495,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.7],
      "number_observations_unique": 887,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    }
  ]

}
  

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


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