Data quality metrics extracted from 7x4b.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": "8213d5f890be567455e6dce3d3856df7",
  "space_group_name": "P 42",
  "unit_cell": {
    "a": 82.710,
    "b": 82.710,
    "c": 34.422,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.24,1.61],
    "number_observations_unique": 30571,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07345
      },
      {
        "type": "R(pim)",
        "value": 0.02727
      },
      {
        "type": "I/SigI",
        "value": 17.39
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 8.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.668,1.61],
      "number_observations_unique": 3010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9489
        },
        {
          "type": "R(pim)",
          "value": 0.3526
        },
        {
          "type": "I/SigI",
          "value": 2.38
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 8.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.803
        }
      ]
    }
  ]

}
  

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


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