Data quality metrics extracted from 9uaf.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": "97a8561b58f79b81aee2f117b0fae71f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 76.415,
    "b": 107.826,
    "c": 134.587,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97861],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.05,2.54],
    "number_observations_unique": 37513,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2699
      },
      {
        "type": "R(meas)",
        "value": 0.2815
      },
      {
        "type": "I/SigI",
        "value": 7.55
      },
      {
        "type": "Completeness",
        "value": 99.80
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.631,2.54],
      "number_observations_unique": 3662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5804
        },
        {
          "type": "R(meas)",
          "value": 0.604
        },
        {
          "type": "I/SigI",
          "value": 3.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    }
  ]

}
  

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


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