Data quality metrics extracted from 6ghg.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": "990b5b52d2799fcb354384943eaf817b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.56,
    "b": 59.80,
    "c": 79.09,
    "alpha": 99.49,
    "beta": 89.56,
    "gamma": 92.61
  },
  "wavelengths": [0.99993],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.31,1.88],
    "number_observations_unique": 85296,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 7.01
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.07
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.88],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.70
        },
        {
          "type": "I/SigI",
          "value": 1.05
        }
      ]
    }
  ]

}
  

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


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