Data quality metrics extracted from 6gxh.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": "70a6204c8e780bf0da7155b1729891f1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.04,
    "b": 79.97,
    "c": 84.79,
    "alpha": 90.00,
    "beta": 102.92,
    "gamma": 90.00
  },
  "wavelengths": [0.96269],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.13,1.8],
    "number_observations_unique": 50502,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 132.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.8],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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