Data quality metrics extracted from 7rks.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": "4725c234cceb2b3a95ab75cbd9964331",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 92.923,
    "b": 89.993,
    "c": 93.865,
    "alpha": 90.000,
    "beta": 113.334,
    "gamma": 90.000
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.61,2.7],
    "number_observations_unique": 72486,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0622
      },
      {
        "type": "R(pim)",
        "value": 0.0396
      },
      {
        "type": "I/SigI",
        "value": 13.14
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.70],
      "number_observations_unique": 3085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "R(pim)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 2.27
        },
        {
          "type": "Completeness",
          "value": 79.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.918
        }
      ]
    }
  ]

}
  

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


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