Data quality metrics extracted from 5n6u.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": "57a183f165e5cf21953b3f69670384ce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 139.25,
    "b": 75.56,
    "c": 217.88,
    "alpha": 90.00,
    "beta": 92.52,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.5,3.08],
    "number_observations_unique": 71693,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.185
      },
      {
        "type": "R(meas)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 3.74
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.14,3.08],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.762
        },
        {
          "type": "R(meas)",
          "value": 2.083
        },
        {
          "type": "R(pim)",
          "value": 1.093
        }
      ]
    }
  ]

}
  

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


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