Data quality metrics extracted from 5fq8.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": "ddb318e914d746ab208e5c6ee5732877",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.110,
    "b": 122.743,
    "c": 122.830,
    "alpha": 111.41,
    "beta": 98.33,
    "gamma": 98.51
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.95,2.75],
    "number_observations_unique": 125711,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.19
      },
      {
        "type": "I/SigI",
        "value": 5.80
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.66
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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