Data quality metrics extracted from 3wrw.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": "16f5526c96a3a522493f8d5f88b9572c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 77.97,
    "b": 105.28,
    "c": 110.62,
    "alpha": 94.56,
    "beta": 109.27,
    "gamma": 107.99
  },
  "wavelengths": [0.97880,0.97920,0.96390],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.64,2.71],
    "number_observations_unique": 79784,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 95.5
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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