Data quality metrics extracted from 6grl.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": "c047f5b8f22be9401aade3098f201b64",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 141.184,
    "b": 35.774,
    "c": 53.050,
    "alpha": 90.00,
    "beta": 91.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.09,1.6],
    "number_observations_unique": 33393,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(meas)",
        "value": 0.039
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 26.09
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6473,1.6],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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