Data quality metrics extracted from 8bxa.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": "58d1d38145c470805734266250d2744e",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 65.315,
    "b": 65.315,
    "c": 27.287,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.18,2.22],
    "number_observations_unique": 5910,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0585
      },
      {
        "type": "R(meas)",
        "value": 0.06307
      },
      {
        "type": "R(pim)",
        "value": 0.0233
      },
      {
        "type": "I/SigI",
        "value": 18.60
      },
      {
        "type": "Completeness",
        "value": 99.88
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.22],
      "number_observations_unique": 592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7828
        },
        {
          "type": "R(meas)",
          "value": 0.8472
        },
        {
          "type": "R(pim)",
          "value": 0.3197
        },
        {
          "type": "I/SigI",
          "value": 2.44
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.893
        }
      ]
    }
  ]

}
  

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


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