Data quality metrics extracted from 5naf.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": "7a5c89759babb401ff7d98b4accf45db",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.628,
    "b": 58.643,
    "c": 155.101,
    "alpha": 97.63,
    "beta": 91.17,
    "gamma": 90.24
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.64,2.493],
    "number_observations_unique": 50648,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08474
      },
      {
        "type": "I/SigI",
        "value": 9.91
      },
      {
        "type": "Completeness",
        "value": 98
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.582,2.493],
      "number_observations_unique": 4583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4429
        },
        {
          "type": "I/SigI",
          "value": 2.27
        },
        {
          "type": "Completeness",
          "value": 88
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.686
        }
      ]
    }
  ]

}
  

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


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