Data quality metrics extracted from 7cuu.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": "42f6a1ec3b30dccb4fce0d005225e7f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.281,
    "b": 54.971,
    "c": 59.459,
    "alpha": 114.71,
    "beta": 99.87,
    "gamma": 90.45
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.398,1.676],
    "number_observations_unique": 58768,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 95.80
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.81
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.684,1.676],
      "number_observations_unique": 2904,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    }
  ]

}
  

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


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