Data quality metrics extracted from 1khb.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": "ce1c59100f54be7d24f28719330ef43d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.40,
    "b": 60.58,
    "c": 62.00,
    "alpha": 88.40,
    "beta": 70.30,
    "gamma": 72.63
  },
  "wavelengths": [1.07200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.854],
    "number_observations_unique": 47525,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0270000
      },
      {
        "type": "Completeness",
        "value": 94.7
      }
    ]
  }
}
  

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


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