Data quality metrics extracted from 1v3k.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": "03e003f48d588e4a1d8a3e27d01fccd3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.88,
    "b": 74.43,
    "c": 79.01,
    "alpha": 85.15,
    "beta": 105.05,
    "gamma": 101.02
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.5,1.83],
    "number_observations_unique": 107382,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.83],
      "number_observations_unique": 2657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        }
      ]
    }
  ]

}
  

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


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