Data quality metrics extracted from 7u4o.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": "65a9652ad1221de228ed65ee3a0e78d1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.990,
    "b": 129.041,
    "c": 84.118,
    "alpha": 90.000,
    "beta": 91.003,
    "gamma": 90.000
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.52,2.30],
    "number_observations_unique": 62434,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07761
      },
      {
        "type": "R(meas)",
        "value": 0.09279
      },
      {
        "type": "I/SigI",
        "value": 11.69
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.30],
      "number_observations_unique": 13546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5556
        },
        {
          "type": "R(meas)",
          "value": 0.6937
        },
        {
          "type": "I/SigI",
          "value": 1.41
        },
        {
          "type": "Completeness",
          "value": 86.01
        },
        {
          "type": "Redundancy",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.613
        }
      ]
    }
  ]

}
  

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


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