Data quality metrics extracted from 5fjw.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": "a34739f93edb03099111a7d3733598bf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.406,
    "b": 79.298,
    "c": 163.346,
    "alpha": 79.71,
    "beta": 87.50,
    "gamma": 83.60
  },
  "wavelengths": [0.97631,0.97949,0.97961],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.60,2.80],
    "number_observations_unique": 80910,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15
      },
      {
        "type": "I/SigI",
        "value": 12.90
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 7.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.21
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "Completeness",
          "value": 97.4
        },
        {
          "type": "Redundancy",
          "value": 7.2
        }
      ]
    }
  ]

}
  

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


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