Data quality metrics extracted from 7xxe.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": "596702792c40b8eeaa330f7a4667d9e3",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 99.649,
    "b": 99.649,
    "c": 130.550,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.55,4.202],
    "number_observations_unique": 5377,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 34.1
      },
      {
        "type": "Completeness",
        "value": 95.48
      },
      {
        "type": "Redundancy",
        "value": 20.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.27,4.202],
      "number_observations_unique": 250,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    }
  ]

}
  

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


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