Data quality metrics extracted from 2pjw.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": "4ab63ec0942611b4d729f70b6040ceeb",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 62.40,
    "b": 62.40,
    "c": 94.56,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97949,0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.92,3.01],
    "number_observations_unique": 7506,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 18.1
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.14,3.01],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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