Data quality metrics extracted from 7ui2.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": "5ff1f2dcd1b8ebba04ab430320dba54b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.38,
    "b": 54.61,
    "c": 61.62,
    "alpha": 90.00,
    "beta": 89.97,
    "gamma": 90.00
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.19],
    "number_observations_unique": 128818,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "R(pim)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 2.4
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.19],
      "number_observations_unique": 9811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.750
        },
        {
          "type": "R(pim)",
          "value": 0.484
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.423
        }
      ]
    }
  ]

}
  

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


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