Data quality metrics extracted from 7u4j.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": "422661cf2edc4f9ae793495783fbf11e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 128.095,
    "b": 36.568,
    "c": 42.180,
    "alpha": 90.0,
    "beta": 101.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.36,1.62],
    "number_observations_unique": 23632,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.265
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.62],
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.711
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 38.3
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.324
        }
      ]
    }
  ]

}
  

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


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