Data quality metrics extracted from 3hq2.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": "15547b12526a0400b0a9100f2d395ef0",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 88.957,
    "b": 149.002,
    "c": 217.840,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.28340],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.37,2.9],
    "number_observations_unique": 31847,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1876
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 4.88
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.9],
      "number_observations_unique": 4424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.302
        },
        {
          "type": "Completeness",
          "value": 92.5
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 43.370 3.080
High resolution limit [Å] 2.900 2.900
R(merge) 0.1876 0.3020
Completeness [%] 96.6 92.5
Multiplicity 4.9 -


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

Resolution [Å] R(merge) Completeness [%]
3.080-2.900 0.3020 92.5