Data quality metrics extracted from 3h58.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": "087dd7673d13ef800661ba90915c69f8",
  "space_group_name": "P 6",
  "unit_cell": {
    "a": 90.13,
    "b": 90.13,
    "c": 45.26,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.030,1.54],
    "number_observations_unique": 26335,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 18.9
      },
      {
        "type": "Completeness",
        "value": 84.000
      },
      {
        "type": "Redundancy",
        "value": 2.620
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.54],
      "number_observations": 580,
      "number_observations_unique": 546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 17.40
        },
        {
          "type": "Redundancy",
          "value": 1.04
        }
      ]
    }
  ]

}
  

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


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