Data quality metrics extracted from 8a45.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": "69070b123ecd1fc0afcf9e6629bb4593",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 117.120,
    "b": 138.013,
    "c": 231.626,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.59,2.0],
    "number_observations_unique": 250709,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03098
      },
      {
        "type": "I/SigI",
        "value": 18.01
      },
      {
        "type": "Completeness",
        "value": 99.62
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 18663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1424
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 48.590 2.279
High resolution limit [Å] 2.000 2.200
R(merge) 0.0310 0.1424
Completeness [%] 99.6 -
Multiplicity 2.0 -


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

Resolution [Å] R(merge)
2.279-2.200 0.1424