Data quality metrics extracted from 8rxf.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": "36d3fdd9289f1f78433d833c65381135",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 67.054,
    "b": 67.054,
    "c": 183.074,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [2.07505],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.54,2.27],
    "number_observations_unique": 20302,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "R(pim)",
        "value": 0.01
      },
      {
        "type": "I/SigI",
        "value": 50.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 171.5
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.27],
      "number_observations_unique": 2883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.534
        },
        {
          "type": "R(meas)",
          "value": 1.546
        },
        {
          "type": "R(pim)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    }
  ]

}
  

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


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