Data quality metrics extracted from 8rja.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": "658dbb1fd9b7f5d30cb503f8904a6108",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 107.627,
    "b": 135.636,
    "c": 149.902,
    "alpha": 90.00,
    "beta": 90.49,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.38,1.97],
    "number_observations_unique": 167948,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.251
      },
      {
        "type": "R(meas)",
        "value": 0.271
      },
      {
        "type": "R(pim)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 93.0
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.187,1.973],
      "number_observations_unique": 8397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.200
        },
        {
          "type": "R(meas)",
          "value": 1.296
        },
        {
          "type": "R(pim)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 64.3
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    }
  ]

}
  

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


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