Data quality metrics extracted from 2ghj.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": "679b4ac8591bbca44de30e29139c6437",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.914,
    "b": 45.217,
    "c": 67.060,
    "alpha": 104.06,
    "beta": 106.20,
    "gamma": 97.76
  },
  "wavelengths": [0.97961],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.,2.53],
    "number_observations_unique": 21490,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  }
}
  

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


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