Data quality metrics extracted from 3sj1.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": "d3d83527d90aadfb4fd42f969fc82e79",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 32.492,
    "b": 32.492,
    "c": 176.956,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.00,1.90],
    "number_observations_unique": 7816,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 41
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 8
        },
        {
          "type": "Completeness",
          "value": 72.5
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 90.000 1.970
High resolution limit [Å] 1.900 1.900
R(merge) 0.0520 0.0940
Completeness [%] 94.2 72.5
Multiplicity 7.0 2.0


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
1.970-1.900 0.0940 72.5 2.0