Data quality metrics extracted from 5ufc.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": "1120a561a41e268894d3c730f60737b3",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 98.916,
    "b": 98.916,
    "c": 162.875,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.458,1.888],
    "number_observations_unique": 74657,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 9.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.888],
      "number_observations": 57174,
      "number_observations_unique": 6177,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.35
        }
      ]
    }
  ]

}
  

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


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