Data quality metrics extracted from 9udj.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": "04478b059dde4df80f1f6cef5d689c02",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.540,
    "b": 90.442,
    "c": 55.947,
    "alpha": 90.00,
    "beta": 102.59,
    "gamma": 90.00
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.97,2.44],
    "number_observations_unique": 15448,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.83
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.44],
      "number_observations_unique": 15448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        }
      ]
    }
  ]

}
  

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


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