Data quality metrics extracted from 1fxq.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": "e5ed0c0b2488bdce7db24b21e27bb0ea",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 84.445,
    "b": 84.445,
    "c": 160.057,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.13,1.8],
    "number_observations_unique": 56785,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1100000
      },
      {
        "type": "I/SigI",
        "value": 22.3
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 6.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.80],
      "number_observations_unique": 7561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4470000
        },
        {
          "type": "Completeness",
          "value": 74.4
        },
        {
          "type": "Redundancy",
          "value": 2.64
        }
      ]
    }
  ]

}
  

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


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