Data quality metrics extracted from 6ghd.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": "39be68c4661e5abaf1e8ec9a06d91893",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.77,
    "b": 62.75,
    "c": 64.34,
    "alpha": 66.44,
    "beta": 66.55,
    "gamma": 88.05
  },
  "wavelengths": [0.97250],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.152,2.1],
    "number_observations_unique": 83934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1173
      },
      {
        "type": "R(meas)",
        "value": 0.139
      },
      {
        "type": "R(pim)",
        "value": 0.07375
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 95.67
      },
      {
        "type": "Redundancy",
        "value": 3.52
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  }
}
  

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


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