Data quality metrics extracted from 1fpq.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": "127fc09e5d8df60fae606cee6211809f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 125.52,
    "b": 53.47,
    "c": 73.60,
    "alpha": 90.00,
    "beta": 124.62,
    "gamma": 90.00
  },
  "wavelengths": [0.92900,0.97950,0.97970,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99,2.0],
    "number_observations_unique": 27095,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0400000
      },
      {
        "type": "I/SigI",
        "value": 20
      },
      {
        "type": "Completeness",
        "value": 98
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.0],
      "number_observations_unique": 2143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2050000
        },
        {
          "type": "Completeness",
          "value": 81.0
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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