Data quality metrics extracted from 5uib.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": "72c8fecac8386f7925b79ca201e65fe7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 138.622,
    "b": 113.109,
    "c": 65.820,
    "alpha": 90.00,
    "beta": 94.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.60,2.65],
    "number_observations_unique": 29362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.79,2.65],
      "number_observations_unique": 4299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.827
        },
        {
          "type": "R(meas)",
          "value": 1.134
        },
        {
          "type": "R(pim)",
          "value": 0.772
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.538
        }
      ]
    }
  ]

}
  

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


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