Data quality metrics extracted from 5h84.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": "53370633d29d516180da3b766f58e6ce",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 38.087,
    "b": 38.087,
    "c": 187.057,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.17,2.0],
    "number_observations_unique": 10102,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08675
      },
      {
        "type": "I/SigI",
        "value": 13.91
      },
      {
        "type": "Completeness",
        "value": 97.98
      },
      {
        "type": "Redundancy",
        "value": 5.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.071,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3129
        },
        {
          "type": "I/SigI",
          "value": 5.68
        },
        {
          "type": "Completeness",
          "value": 92.71
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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