Data quality metrics extracted from 7d97.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": "aa556429234872f45136a3ce3da4018e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.50,
    "b": 68.05,
    "c": 75.35,
    "alpha": 90.95,
    "beta": 90.47,
    "gamma": 91.45
  },
  "wavelengths": [1.54179],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.49,1.89],
    "number_observations_unique": 48293,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 1.28
      },
      {
        "type": "Completeness",
        "value": 93.7
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.861
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.89],
      "number_observations_unique": 5717,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.702
        }
      ]
    }
  ]

}
  

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


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