Data quality metrics extracted from 7ofa.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": "d488d46b42e629d06c420b3b266a082a",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 103.505,
    "b": 103.505,
    "c": 55.746,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.75,2.22],
    "number_observations_unique": 16965,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2356
      },
      {
        "type": "R(meas)",
        "value": 0.2434
      },
      {
        "type": "R(pim)",
        "value": 0.06041
      },
      {
        "type": "I/SigI",
        "value": 8.07
      },
      {
        "type": "Completeness",
        "value": 99.86
      },
      {
        "type": "Redundancy",
        "value": 16.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.221],
      "number_observations_unique": 1696,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8688
        },
        {
          "type": "R(meas)",
          "value": 0.9056
        },
        {
          "type": "R(pim)",
          "value": 0.2456
        },
        {
          "type": "I/SigI",
          "value": 2.30
        },
        {
          "type": "Completeness",
          "value": 99.00
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    }
  ]

}
  

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


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