Data quality metrics extracted from 7pbf.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": "fb373e809626a0f967da4588d967dea4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 35.00,
    "b": 80.64,
    "c": 81.19,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.32,1.54],
    "number_observations_unique": 34390,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 18.68
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 12.89
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.54],
      "number_observations_unique": 5324,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.65
        }
      ]
    }
  ]

}
  

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


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