Data quality metrics extracted from 6qlr.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": "b60ce957bfa4bb5c9d438ebd4bd94e2a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 36.778,
    "b": 57.822,
    "c": 62.707,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.354,0.97],
    "number_observations_unique": 78756,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05891
      },
      {
        "type": "R(meas)",
        "value": 0.06727
      },
      {
        "type": "R(pim)",
        "value": 0.03183
      },
      {
        "type": "I/SigI",
        "value": 13.80
      },
      {
        "type": "Completeness",
        "value": 98.44
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.005,0.97],
      "number_observations_unique": 7095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.421
        },
        {
          "type": "R(meas)",
          "value": 1.688
        },
        {
          "type": "R(pim)",
          "value": 0.8843
        },
        {
          "type": "Completeness",
          "value": 88.03
        }
      ]
    }
  ]

}
  

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


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