Data quality metrics extracted from 1f3w.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": "ea216d9ec7db4aea1f2dd22062d7bb07",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 79.0,
    "b": 105.4,
    "c": 143.5,
    "alpha": 95.9,
    "beta": 92.8,
    "gamma": 111.9
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.0,3.0],
    "number_observations_unique": 82732,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0820000
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.11,3.0],
      "number_observations_unique": 9404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2580000
        },
        {
          "type": "Completeness",
          "value": 93.2
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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


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