Data quality metrics extracted from 3h6a.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": "5ed0caca4b25e608cf02d3c846646834",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.31,
    "b": 51.70,
    "c": 87.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.340,1.608],
    "number_observations_unique": 30229,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.1000
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 9.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.608],
      "number_observations_unique": 4045,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.620
        },
        {
          "type": "Completeness",
          "value": 88.1
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    }
  ]

}
  

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


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