Data quality metrics extracted from 9bny.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": "ca44300b230fd85bfff78d86899a3258",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.249,
    "b": 54.013,
    "c": 44.978,
    "alpha": 90.000,
    "beta": 101.312,
    "gamma": 90.000
  },
  "wavelengths": [0.97933],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.10,1.83],
    "number_observations_unique": 22567,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07749
      },
      {
        "type": "I/SigI",
        "value": 10.38
      },
      {
        "type": "Completeness",
        "value": 95.14
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.895,1.83],
      "number_observations_unique": 2359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.632
        },
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "Completeness",
          "value": 98.99
        },
        {
          "type": "Redundancy",
          "value": 5.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.429
        }
      ]
    }
  ]

}
  

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


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