Data quality metrics extracted from 6t28.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": "237c49d44b3354e21b4b3b1d99e7f859",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 57.640,
    "b": 45.620,
    "c": 108.949,
    "alpha": 90.000,
    "beta": 104.439,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.80,1.55],
    "number_observations_unique": 34389,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 86.2
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "number_observations_unique": 1829,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.806
        }
      ]
    }
  ]

}
  

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


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