Data quality metrics extracted from 8y6t.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": "db0ebca1f63867c9b181c9c8d863fe6d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.891,
    "b": 63.849,
    "c": 77.854,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.370,1.900],
    "number_observations_unique": 66146,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "I/SigI",
        "value": 1.97
      },
      {
        "type": "Completeness",
        "value": 94.93
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 5147,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.394
        }
      ]
    }
  ]

}
  

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


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