Data quality metrics extracted from 9paq.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": "4ce88ac5046285282b6bfdaecf7459d2",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.65,
    "b": 105.65,
    "c": 53.28,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.75,1.8],
    "number_observations_unique": 31999,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1319
      },
      {
        "type": "I/SigI",
        "value": 19.59
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 19
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 3136,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    }
  ]

}
  

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


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