Data quality metrics extracted from 7hgg.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": "aaaf8baa5f3f4b5d6c75969fb28986fb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 41.73,
    "b": 42.25,
    "c": 160.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91808],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.73,1.61],
    "number_observations": 233304,
    "number_observations_unique": 37723,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "R(meas)",
        "value": 0.090
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 10.0
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.61],
      "number_observations": 15173,
      "number_observations_unique": 2709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.400
        },
        {
          "type": "R(meas)",
          "value": 1.547
        },
        {
          "type": "R(pim)",
          "value": 0.649
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.350
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 41.730 1.650
High resolution limit [Å] 1.610 1.610
R(merge) 0.0820 1.4000
R(meas) 0.0900 1.5470
R(pim) 0.0360 0.6490
CC(1/2) 0.997 0.350
Completeness [%] 99.9 -
Multiplicity 6.2 5.6


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
1.650-1.610 1.4000 1.5470 0.6490 0.350 5.6