Data quality metrics extracted from 5b1k.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": "af3b94b1cd784c9cb2e5468bc3f272ff",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 104.703,
    "b": 104.703,
    "c": 63.073,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.5,1.35],
    "number_observations_unique": 86291,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 29.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.37,1.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.71
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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