Data quality metrics extracted from 9yoi.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "98c9c56455cc4ca46e1826a41806752d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 73.844,
    "b": 114.156,
    "c": 235.332,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.16,2.29],
    "number_observations_unique": 89310,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.18
      },
      {
        "type": "R(pim)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 13.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 11.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.29],
      "number_observations_unique": 4356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.0
        },
        {
          "type": "R(pim)",
          "value": 0.46
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    }
  ]

}
  

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


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