Data quality metrics extracted from 1ak4.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": "bf1d8247c0c0a2da1c671975850664cb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.6,
    "b": 113.1,
    "c": 67.0,
    "alpha": 90.0,
    "beta": 100.7,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.,2.36],
    "number_observations_unique": 21503,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1100000
      },
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 97.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.36],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3990000
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
        "value": 91.0
        }
      ]
    }
  ]

}
  

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


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