Data quality metrics extracted from 3n8b.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": "cc694e4a5e1953472103ee6daef1073d",
  "space_group_name": "I 21 21 21",
  "unit_cell": {
    "a": 48.71,
    "b": 58.33,
    "c": 141.84,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.946,1.900],
    "number_observations_unique": 30605,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09700
      },
      {
        "type": "I/SigI",
        "value": 12.9000
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42000
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 95.5
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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