Data quality metrics extracted from 9fta.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": "20515cfcdb081fb81da6473ac0d90eea",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 26.457,
    "b": 47.925,
    "c": 96.076,
    "alpha": 89.996,
    "beta": 89.916,
    "gamma": 90.059
  },
  "wavelengths": [2.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.04,2.49],
    "number_observations_unique": 4651,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 1.11
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 4
      },
      {
        "type": "CC(1/2)",
        "value": 0.891
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.554,2.49],
      "number_observations_unique": 4043,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    }
  ]

}
  

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


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