Data quality metrics extracted from 1rxj.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": "c9b84097195d5ff555562e2e6a09670c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.355,
    "b": 85.080,
    "c": 57.694,
    "alpha": 90.00,
    "beta": 98.17,
    "gamma": 90.00
  },
  "wavelengths": [1.00300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.8,1.14],
    "number_observations_unique": 148143,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  }
}
  

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


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