Data quality metrics extracted from 8onn.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": "6f4209c9955ec9c3eb1e044b143bb4f6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 141.102,
    "b": 51.335,
    "c": 205.289,
    "alpha": 90.00,
    "beta": 110.03,
    "gamma": 90.00
  },
  "wavelengths": [0.75268],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.55,2.10],
    "number_observations": 333904,
    "number_observations_unique": 79705,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(meas)",
        "value": 0.132
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations": 18601,
      "number_observations_unique": 4502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.698
        },
        {
          "type": "R(meas)",
          "value": 0.800
        },
        {
          "type": "R(pim)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    }
  ]

}
  

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


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