Data quality metrics extracted from 8ugc.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": "96c004c6d0976f17bb09c183bb3d5e53",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.666,
    "b": 122.784,
    "c": 89.995,
    "alpha": 90.00,
    "beta": 97.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.2,4],
    "number_observations_unique": 21962,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.450
      },
      {
        "type": "R(pim)",
        "value": 0.184
      },
      {
        "type": "I/SigI",
        "value": 5.15
      },
      {
        "type": "Completeness",
        "value": 93.23
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.21,4],
      "number_observations_unique": 1648,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.622
        },
        {
          "type": "R(meas)",
          "value": 2.64
        },
        {
          "type": "R(pim)",
          "value": 0.648
        },
        {
          "type": "Completeness",
          "value": 95.97
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    }
  ]

}
  

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


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