Data quality metrics extracted from 6u4u.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": "6a53d2dee4b6b4443ceb2e3588b630cd",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 54.41,
    "b": 54.41,
    "c": 103.77,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.09895],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.32,1.30],
    "number_observations_unique": 44167,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(meas)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 21.0
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.32,1.30],
      "number_observations_unique": 2027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.430
        },
        {
          "type": "R(meas)",
          "value": 0.525
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    }
  ]

}
  

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


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