Data quality metrics extracted from 7n4g.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": "f3ec5aea84373651192dfd1e01fb024e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.21,
    "b": 78.27,
    "c": 39.00,
    "alpha": 90.00,
    "beta": 100.68,
    "gamma": 90.00
  },
  "wavelengths": [1.60000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.6,1.93],
    "number_observations_unique": 15651,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.5892
      },
      {
        "type": "R(meas)",
        "value": 0.6126
      },
      {
        "type": "R(pim)",
        "value": 0.1643
      },
      {
        "type": "I/SigI",
        "value": 159.03
      },
      {
        "type": "Completeness",
        "value": 98.89
      },
      {
        "type": "Redundancy",
        "value": 13.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.82
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.999,1.93],
      "number_observations_unique": 1535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8141
        },
        {
          "type": "R(pim)",
          "value": 0.2242
        },
        {
          "type": "I/SigI",
          "value": 6.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.83
        }
      ]
    }
  ]

}
  

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


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