Data quality metrics extracted from 7pwe.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": "4fd587ade2251d850d70a029e0f0eed7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 123.6,
    "b": 49.3,
    "c": 86.0,
    "alpha": 90.0,
    "beta": 116.5,
    "gamma": 90.0
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.42,2.08],
    "number_observations_unique": 54939,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 22.81
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.08],
      "number_observations_unique": 4067,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 5.84
        }
      ]
    }
  ]

}
  

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


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