Data quality metrics extracted from 1hg3.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": "c4bd78f70cefbeb43bc60c59c166596e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.0,
    "b": 89.1,
    "c": 145.1,
    "alpha": 90.0,
    "beta": 92.8,
    "gamma": 90.0
  },
  "wavelengths": [0.97950,0.97960,0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.000],
    "number_observations_unique": 25844,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07600
      },
      {
        "type": "Completeness",
        "value": 90.1
      },
      {
        "type": "Redundancy",
        "value": 15.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.20,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11200
        },
        {
          "type": "Completeness",
          "value": 89.7
        }
      ]
    }
  ]

}
  

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


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