Data quality metrics extracted from 8k5i.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": "9d1be716b4c6a39f591a9827ba538ca7",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 68.641,
    "b": 95.895,
    "c": 61.846,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.34138],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.20,1.92],
    "number_observations_unique": 31836,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0792
      },
      {
        "type": "I/SigI",
        "value": 12.65
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 5.07
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.92],
      "number_observations_unique": 1370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2694
        },
        {
          "type": "I/SigI",
          "value": 3.31
        },
        {
          "type": "Completeness",
          "value": 97.4
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    }
  ]

}
  

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


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