Data quality metrics extracted from 8hq1.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": "be3c69595a730d6e06ecc8040dc90248",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 373.503,
    "b": 232.369,
    "c": 80.035,
    "alpha": 90.00,
    "beta": 94.97,
    "gamma": 90.00
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,4.170],
    "number_observations_unique": 50134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07400
      },
      {
        "type": "I/SigI",
        "value": 19.6670
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.31,4.17],
      "number_observations_unique": 4928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75800
        },
        {
          "type": "I/SigI",
          "value": 1.909
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 3.40
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 4.310
High resolution limit [Å] 4.170 4.170
R(merge) 0.0740 0.7580
Completeness [%] 99.5 98.1
Multiplicity 3.5 3.4


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
4.310-4.170 0.7580 98.1 3.4