Data quality metrics extracted from 3nbz.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": "20e948cacd5b164cd6e5dede752e5d4b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.660,
    "b": 224.617,
    "c": 164.021,
    "alpha": 90.00,
    "beta": 100.82,
    "gamma": 90.00
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.897,2.800],
    "number_observations": 333225,
    "number_observations_unique": 114008,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(meas)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 7.050
      },
      {
        "type": "Completeness",
        "value": 90.000
      }
    ]
  }
}
  

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


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