Data quality metrics extracted from 7u4r.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": "48ce142bb409f7e5665bef6e1b1f321f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.376,
    "b": 129.505,
    "c": 83.654,
    "alpha": 90.000,
    "beta": 91.819,
    "gamma": 90.000
  },
  "wavelengths": [0.97980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.49,3.14],
    "number_observations_unique": 24364,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05884
      },
      {
        "type": "R(meas)",
        "value": 0.08216
      },
      {
        "type": "I/SigI",
        "value": 9.07
      },
      {
        "type": "Completeness",
        "value": 84.66
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.252,3.14],
      "number_observations_unique": 3500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5262
        },
        {
          "type": "R(meas)",
          "value": 0.7351
        },
        {
          "type": "I/SigI",
          "value": 1.62
        },
        {
          "type": "Completeness",
          "value": 86.03
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.586
        }
      ]
    }
  ]

}
  

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


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