Data quality metrics extracted from 5onr.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": "23d4ab809d97be22ecbf1cde25a04dfd",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 92.696,
    "b": 92.696,
    "c": 129.368,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97264],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.350,1.390],
    "number_observations": 647249,
    "number_observations_unique": 66070,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "R(meas)",
        "value": 0.092
      },
      {
        "type": "R(pim)",
        "value": 0.028
      },
      {
        "type": "I/SigI",
        "value": 12.700
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 9.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.440,1.390],
      "number_observations": 52782,
      "number_observations_unique": 6407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.224
        },
        {
          "type": "R(meas)",
          "value": 1.307
        },
        {
          "type": "R(pim)",
          "value": 0.447
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 8.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.639
        }
      ]
    },
    {
      "resolution_limits": [46.350,5.380],
      "number_observations": 12701,
      "number_observations_unique": 1270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 36.700
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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