Data quality metrics extracted from 1b9k.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": "b05ac98e9bee7c5f1a45e3c47fb9e5b0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.86,
    "b": 40.87,
    "c": 42.47,
    "alpha": 99.40,
    "beta": 95.29,
    "gamma": 113.69
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.55,1.90],
    "number_observations_unique": 51805,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0880000
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  }
}
  

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


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