Data quality metrics extracted from 8yi1.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": "1cd2504e9d7ac678cbe1d2063cc8f0b0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.274,
    "b": 89.635,
    "c": 99.062,
    "alpha": 70.87,
    "beta": 89.61,
    "gamma": 89.69
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.27,2.4],
    "number_observations_unique": 71193,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        }
      ]
    }
  ]

}
  

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


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