Data quality metrics extracted from 3skx.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": "0f1a7f6281001a3a61e505e4d200c885",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 36.052,
    "b": 62.682,
    "c": 106.059,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920,0.97920,0.91160,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [106.06,1.59],
    "number_observations_unique": 31479,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 25.0
      },
      {
        "type": "Completeness",
        "value": 95.3
      },
      {
        "type": "Redundancy",
        "value": 5.63
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.59],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 93.8
        },
        {
          "type": "Redundancy",
          "value": 4.61
        }
      ]
    }
  ]

}
  

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


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