Data quality metrics extracted from 1w5e.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": "4fb7c0bfca53931bfac9064cb51ae793",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 113.951,
    "b": 114.332,
    "c": 115.135,
    "alpha": 90.07,
    "beta": 90.19,
    "gamma": 119.86
  },
  "wavelengths": [0.93000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.000],
    "number_observations_unique": 85869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 6.6000
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.16,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36000
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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