Data quality metrics extracted from 8yrb.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": "23d7f2d92c3d250d9c69005f2b9c5cfa",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.02,
    "b": 53.22,
    "c": 100.81,
    "alpha": 90.000,
    "beta": 96.485,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.18,1.78],
    "number_observations_unique": 53646,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08682
      },
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 99.72
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.844,1.78],
      "number_observations_unique": 5319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.359
        },
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    }
  ]

}
  

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


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