Data quality metrics extracted from 6qsc.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": "626f7e94b8adc4d41515a834ec5f48ea",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 103.541,
    "b": 108.714,
    "c": 211.548,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.35,1.5690],
    "number_observations_unique": 165436,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 16.61
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 7.49
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.569],
      "number_observations_unique": 26391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.212
        },
        {
          "type": "R(meas)",
          "value": 1.299
        },
        {
          "type": "I/SigI",
          "value": 1.47
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 7.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.649
        }
      ]
    }
  ]

}
  

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


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