Data quality metrics extracted from 5c6e.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": "dbbe57b8b9ee4209723b6152d8d51d30",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 108.86,
    "b": 63.16,
    "c": 54.71,
    "alpha": 90.00,
    "beta": 110.75,
    "gamma": 90.00
  },
  "wavelengths": [1.54000,0.70000,6.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.2,1.70],
    "number_observations_unique": 35839,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 91.1
        },
        {
          "type": "Redundancy",
          "value": 3.8
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 67.9
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 30.200 2.110 2.110
High resolution limit [Å] 1.700 2.000 2.000
R(merge) 0.0640 0.3560 0.3560
Completeness [%] 94.6 67.9 67.9
Multiplicity 3.8 1.9 1.9


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.110-2.000 0.3560 67.9 1.9
1.790-1.700 0.2870 91.1 3.8