Data quality metrics extracted from 7gbu.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": "b7e2e2231da4352eaaca2757b1eedf0e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.249,
    "b": 53.495,
    "c": 44.404,
    "alpha": 90.00,
    "beta": 100.95,
    "gamma": 90.00
  },
  "wavelengths": [0.91258],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.10,1.56],
    "number_observations": 112639,
    "number_observations_unique": 37437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.135
      },
      {
        "type": "R(pim)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.56],
      "number_observations": 4099,
      "number_observations_unique": 1831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.116
        },
        {
          "type": "R(meas)",
          "value": 1.424
        },
        {
          "type": "R(pim)",
          "value": 0.874
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.329
        }
      ]
    }
  ]

}
  

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


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