Data quality metrics extracted from 6g5e.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": "0c1cfa5f831293a2aae67c7347e9494c",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 37.027,
    "b": 94.793,
    "c": 53.499,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.40,1.60],
    "number_observations_unique": 12814,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.029
      },
      {
        "type": "R(meas)",
        "value": 0.032
      },
      {
        "type": "R(pim)",
        "value": 0.013
      },
      {
        "type": "I/SigI",
        "value": 26.9
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.60],
      "number_observations_unique": 553,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 86.5
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    }
  ]

}
  

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


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