Data quality metrics extracted from 5n6p.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": "2a2964b36bfab7e66a7e607933e76f6e",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 94.50,
    "b": 94.50,
    "c": 160.57,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.71,2.8],
    "number_observations_unique": 18494,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.8],
      "number_observations_unique": 2683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.846
        },
        {
          "type": "R(pim)",
          "value": 0.483
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.498
        }
      ]
    }
  ]

}
  

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


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