Data quality metrics extracted from 1nq2.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": "a238ea67b0daa0397bb60af65cbadfcc",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 68.954,
    "b": 68.954,
    "c": 131.400,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.08000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100,2.4],
    "number_observations_unique": 96581,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 105.6
      },
      {
        "type": "Completeness",
        "value": 99.76
      },
      {
        "type": "Redundancy",
        "value": 25.122
      }
    ]
  }
}
  

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


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