Data quality metrics extracted from 8jna.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": "f1e6052ebdb9ee62855a8afe9cf4072d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 39.696,
    "b": 58.744,
    "c": 69.055,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.53,1.7],
    "number_observations_unique": 9147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04141
      },
      {
        "type": "R(meas)",
        "value": 0.04492
      },
      {
        "type": "I/SigI",
        "value": 21.10
      },
      {
        "type": "Completeness",
        "value": 98.77
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.761,1.7],
      "number_observations_unique": 866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7058
        },
        {
          "type": "R(meas)",
          "value": 0.8045
        },
        {
          "type": "I/SigI",
          "value": 1.59
        },
        {
          "type": "Completeness",
          "value": 95.65
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    }
  ]

}
  

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


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