Data quality metrics extracted from 4fnn.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": "c86d9e158c5f83dfdae3f29810c61ded",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 89.309,
    "b": 101.436,
    "c": 162.984,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.24],
    "number_observations_unique": 31454,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 16.5
      },
      {
        "type": "Completeness",
        "value": 92.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.24],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 83
        }
      ]
    }
  ]

}
  

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


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