Data quality metrics extracted from 3ibd.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": "40b1a4c21afcda68831bafa4b80c260e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.573,
    "b": 55.740,
    "c": 99.090,
    "alpha": 90.00,
    "beta": 96.51,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.451,1.998],
    "number_observations_unique": 32536,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13100
      },
      {
        "type": "I/SigI",
        "value": 11.8000
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 6.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48700
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 88.1
        },
        {
          "type": "Redundancy",
          "value": 4.10
        }
      ]
    }
  ]

}
  

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


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