Data quality metrics extracted from 8ffr.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": "fc6eebbdfa372b8f350d21be5fd5ec2a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 270.43,
    "b": 281.00,
    "c": 236.90,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.75,3.49],
    "number_observations_unique": 226498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 12.15
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.63,3.49],
      "number_observations_unique": 21091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "I/SigI",
          "value": 3.36
        }
      ]
    }
  ]

}
  

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


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