Data quality metrics extracted from 9xnl.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": "07e8c8dd615f0135674a20c16516a0f1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.94,
    "b": 40.13,
    "c": 89.68,
    "alpha": 90.0,
    "beta": 92.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.23,1.19],
    "number_observations_unique": 25691,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 13.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.91],
      "number_observations_unique": 25693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.804
        }
      ]
    }
  ]

}
  

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


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