Data quality metrics extracted from 3rty.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": "14e31f4fdd49f79c694ac0c654ed6bff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.414,
    "b": 94.697,
    "c": 141.030,
    "alpha": 88.19,
    "beta": 89.63,
    "gamma": 89.87
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.85],
    "number_observations_unique": 62952,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Completeness",
        "value": 92.4
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  }
}
  

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


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