Data quality metrics extracted from 3niy.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": "83cb67ba356d9c3a202aa6f7c547b8bc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.538,
    "b": 58.554,
    "c": 61.579,
    "alpha": 84.54,
    "beta": 70.82,
    "gamma": 68.87
  },
  "wavelengths": [1.45800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.24,1.58],
    "number_observations_unique": 91930,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "Completeness",
        "value": 92.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.8
        }
      ]
    }
  ]

}
  

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


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