Data quality metrics extracted from 4oq1.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": "d21411922f858ccc08c8bb300df50379",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.58,
    "b": 65.76,
    "c": 60.42,
    "alpha": 90.00,
    "beta": 110.97,
    "gamma": 90.00
  },
  "wavelengths": [0.97923,1.00450],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.63,1.85],
    "number_observations_unique": 26430,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 80
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.502
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 96.1
        },
        {
          "type": "Redundancy",
          "value": 7.1
        }
      ]
    }
  ]

}
  

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


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