Data quality metrics extracted from 9yub.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": "ac48bc08c7c8d1c4279927dcc0b039ea",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 93.869,
    "b": 39.342,
    "c": 75.455,
    "alpha": 90.00,
    "beta": 104.32,
    "gamma": 90.00
  },
  "wavelengths": [1.19499],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.5,2.10],
    "number_observations_unique": 15458,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(pim)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.10],
      "number_observations_unique": 1187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.929
        },
        {
          "type": "R(pim)",
          "value": 0.903
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 92.8
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.324
        }
      ]
    }
  ]

}
  

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


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