Data quality metrics extracted from 3c9c.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": "149680abc82fd043894d6329b36e40d6",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 150.119,
    "b": 150.119,
    "c": 97.821,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.2],
    "number_observations_unique": 21402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 28.4
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 5.90
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.2],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 3.310
High resolution limit [Å] 3.200 3.200
R(merge) 0.1100 0.5910
Completeness [%] 99.7 100.0
Multiplicity 5.9 6.0


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
3.310-3.200 0.5910 100.0 6.0