Data quality metrics extracted from 9lzq.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": "2dcac600a7a8587f17d768f068fa1437",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.115,
    "b": 60.358,
    "c": 68.168,
    "alpha": 93.136,
    "beta": 102.503,
    "gamma": 108.540
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.96,2.05],
    "number_observations_unique": 49370,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.05],
      "number_observations_unique": 3577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.494
        }
      ]
    }
  ]

}
  

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


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