Data quality metrics extracted from 8don.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": "f162885a8161a5016d0d6626816260ef",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 41.43,
    "b": 41.43,
    "c": 231.26,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.455,1.36],
    "number_observations_unique": 50984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03937
      },
      {
        "type": "R(meas)",
        "value": 0.05568
      },
      {
        "type": "I/SigI",
        "value": 11.76
      },
      {
        "type": "Completeness",
        "value": 99.58
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.409,1.36],
      "number_observations_unique": 5041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06902
        },
        {
          "type": "R(meas)",
          "value": 0.0976
        },
        {
          "type": "I/SigI",
          "value": 7.92
        }
      ]
    }
  ]

}
  

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


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