Data quality metrics extracted from 1jjw.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": "51288db2758e0aa4882b1b553c23b24b",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 78.893,
    "b": 122.331,
    "c": 126.288,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.55000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.9],
    "number_observations_unique": 46472,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0490000
      },
      {
        "type": "I/SigI",
        "value": 28.8
      },
      {
        "type": "Completeness",
        "value": 96.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1950000
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    }
  ]

}
  

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


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