Data quality metrics extracted from 6w3s.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": "efce3d5a713cb79a68e8055f750f82d6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.65,
    "b": 137.50,
    "c": 48.92,
    "alpha": 90.00,
    "beta": 94.28,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.21,1.40],
    "number_observations_unique": 109203,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 10.7
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.399
        },
        {
          "type": "I/SigI",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 28.210 1.420
High resolution limit [Å] 1.400 1.400
R(merge) 0.0480 0.3990
Completeness [%] 99.2 -
Multiplicity 3.7 -


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

Resolution [Å] R(merge)
1.420-1.400 0.3990