Data quality metrics extracted from 5qak.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": "7de906ff663c7955d74125a5c4865563",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 88.943,
    "b": 107.938,
    "c": 124.947,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97624],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.28,1.90],
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09169
      },
      {
        "type": "R(meas)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 12.07
      },
      {
        "type": "Completeness",
        "value": 99.78
      },
      {
        "type": "Redundancy",
        "value": 8.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 85712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8395
        },
        {
          "type": "R(meas)",
          "value": 0.89
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Redundancy",
          "value": 9.1
        }
      ]
    }
  ]

}
  

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


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