Data quality metrics extracted from 9fa3.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": "0b5aab67279768f141f2197de3ac7082",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.806,
    "b": 74.744,
    "c": 68.419,
    "alpha": 90.00,
    "beta": 102.56,
    "gamma": 90.00
  },
  "wavelengths": [0.97371],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.60,1.36],
    "number_observations_unique": 69032,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 82
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.494,1.368],
      "number_observations_unique": 3584,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.791
        }
      ]
    }
  ]

}
  

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


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