Data quality metrics extracted from 7fq3.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": "abe9e6337e01c93acb551494bd28ce22",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.179,
    "b": 45.486,
    "c": 99.329,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.82653],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.36,1.30],
    "number_observations_unique": 73267,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.594
      },
      {
        "type": "R(pim)",
        "value": 0.310
      },
      {
        "type": "I/SigI",
        "value": 15.4
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 26.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.32,1.30],
      "number_observations_unique": 3185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.262
        },
        {
          "type": "R(pim)",
          "value": 1.596
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 27.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.360
        }
      ]
    }
  ]

}
  

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


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