Data quality metrics extracted from 6jw3.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": "462cf3bb3efa3f38e056e8039cf10289",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 94.169,
    "b": 93.622,
    "c": 167.632,
    "alpha": 90.0,
    "beta": 102.8,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.09],
    "number_observations_unique": 73997,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 2
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.18,3.09],
      "number_observations_unique": 43876,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.092
        }
      ]
    }
  ]

}
  

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


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