Data quality metrics extracted from 8uvl.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": "d22e640f8e4be7e7242453b2060aa0ca",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 67.890,
    "b": 166.834,
    "c": 102.950,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.81,2.43],
    "number_observations": 147282,
    "number_observations_unique": 22437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.065
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 20.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.52,2.43],
      "number_observations": 15096,
      "number_observations_unique": 2319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.038
        },
        {
          "type": "R(meas)",
          "value": 1.128
        },
        {
          "type": "R(pim)",
          "value": 0.439
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    }
  ]

}
  

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


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