Data quality metrics extracted from 6kit.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": "d54c4eaa54cfb35f81aebeade07300ac",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 51.128,
    "b": 96.102,
    "c": 33.230,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97623],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.57],
    "number_observations_unique": 23707,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 22.21
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 12.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.57],
      "number_observations_unique": 2320,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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