Data quality metrics extracted from 7so4.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": "04a89adb10bd79d5d5ced38051412820",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 161.300,
    "b": 73.842,
    "c": 107.063,
    "alpha": 90.000,
    "beta": 100.112,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.95],
    "number_observations_unique": 26134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 17.82
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.12,2.95],
      "number_observations_unique": 3988,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.63
        },
        {
          "type": "R(meas)",
          "value": 0.74
        },
        {
          "type": "I/SigI",
          "value": 2.41
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 4
        },
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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