Data quality metrics extracted from 1z2n.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": "a235fba4d16f7d6d790ab13b7aac8918",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.359,
    "b": 94.267,
    "c": 47.276,
    "alpha": 90.00,
    "beta": 110.26,
    "gamma": 90.00
  },
  "wavelengths": [1.00000,0.96870,1.00950,1.00700,1.00800,1.89970,1.84530],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.000,1.200],
    "number_observations_unique": 91950,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "Completeness",
        "value": 99.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.30,1.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "Redundancy",
          "value": 99.40
        }
      ]
    }
  ]

}
  

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


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