Data quality metrics extracted from 1w3k.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": "4cd9437d5796ccd4e33b67260c8cd578",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.565,
    "b": 69.559,
    "c": 76.790,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.200],
    "number_observations_unique": 85611,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04600
      },
      {
        "type": "I/SigI",
        "value": 25.5000
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.920
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37600
        },
        {
          "type": "I/SigI",
          "value": 2.930
        },
        {
          "type": "Completeness",
          "value": 89.3
        },
        {
          "type": "Redundancy",
          "value": 3.23
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 20.000 1.240
High resolution limit [Å] 1.200 1.200
R(merge) 0.0460 0.3760
Completeness [%] 98.1 89.3
Multiplicity 3.9 3.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
1.240-1.200 0.3760 89.3 3.2