Data quality metrics extracted from 7wfs.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": "0a68226c0b2efaae07e913fcd7843c7c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.258,
    "b": 37.980,
    "c": 45.975,
    "alpha": 89.678,
    "beta": 66.126,
    "gamma": 60.718
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.80,1.40],
    "number_observations_unique": 36124,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.5
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations_unique": 1722,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    }
  ]

}
  

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


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