Data quality metrics extracted from 3kq6.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": "3c90d17e0511c69c5f2e11a5d22a336c",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 78.091,
    "b": 78.091,
    "c": 36.399,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000,1.23980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.05,1.90],
    "number_observations_unique": 6488,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 14.1
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 5.49
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.43
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 32.050 1.970
High resolution limit [Å] 1.900 1.900
R(merge) 0.0570 0.4220
Completeness [%] 99.5 100.0
Multiplicity 5.5 5.4


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
1.970-1.900 0.4220 100.0 5.4