Data quality metrics extracted from 3n9b.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "cc32bd54e12a29a5e5e2487e8d1135f9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.583,
    "b": 45.550,
    "c": 53.384,
    "alpha": 102.32,
    "beta": 109.43,
    "gamma": 104.59
  },
  "wavelengths": [1.19000,0.99000,0.73000,1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.92],
    "number_observations_unique": 24596,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 25.9
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 7.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.92],
      "number_observations_unique": 1272,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 93
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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