Data quality metrics extracted from 6ggg.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": "fa8c1e18d7a12e13acdb14c01e3aeccd",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 75.729,
    "b": 75.729,
    "c": 121.238,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [121.24,1.71],
    "number_observations_unique": 38653,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "R(meas)",
        "value": 0.109
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 12.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.434
        },
        {
          "type": "R(pim)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 121.240 1.880
High resolution limit [Å] 1.710 1.710
R(merge) 0.1010 1.4340
R(meas) 0.1090 -
R(pim) 0.0310 0.4310
Completeness [%] 100.0 100.0
Multiplicity 12.9 12.9


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
1.880-1.710 1.4340 0.4310 100.0 12.9