Data quality metrics extracted from 7aon.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": "62f1a131254a502c24898c7615a813a3",
  "space_group_name": "P 6 2 2",
  "unit_cell": {
    "a": 68.392,
    "b": 68.392,
    "c": 52.661,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.229,1.262],
    "number_observations_unique": 15866,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.016
      },
      {
        "type": "I/SigI",
        "value": 22.585
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 36.03
      },
      {
        "type": "CC(1/2)",
        "value": 0.9995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.345,1.262],
      "number_observations": 49389,
      "number_observations_unique": 795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.667
        },
        {
          "type": "R(meas)",
          "value": 2.708
        },
        {
          "type": "R(pim)",
          "value": 0.462
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 63.42
        },
        {
          "type": "Redundancy",
          "value": 34.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.7034
        }
      ]
    },
    {
      "resolution_limits": [59.229,3.914],
      "number_observations": 9877,
      "number_observations_unique": 793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 37.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.9993
        }
      ]
    }
  ]

}
  

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


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