Data quality metrics extracted from 9tot.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "2e86053825da4a059530c2205c0daba1",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 79.164,
    "b": 79.164,
    "c": 38.113,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.98,1.64],
    "number_observations_unique": 15382,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.597
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 434.56
      },
      {
        "type": "CC(1/2)",
        "value": 0.056
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6683,1.64],
      "number_observations_unique": 760,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.835
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 203.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.388
        }
      ]
    }
  ]

}
  

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


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