Data quality metrics extracted from 4i3b.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": "f7e6f5395c53c90166042d105508c019",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.394,
    "b": 73.954,
    "c": 124.364,
    "alpha": 90.00,
    "beta": 92.45,
    "gamma": 90.00
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,0.98],
    "number_observations_unique": 457015,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 35.0
      },
      {
        "type": "Completeness",
        "value": 80.0
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.00,0.98],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 27.5
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 1.000
High resolution limit [Å] 0.980 0.980
R(merge) 0.0540 0.2260
Completeness [%] 80.0 27.5
Multiplicity 2.4 1.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
1.000-0.980 0.2260 27.5 1.2