Data quality metrics extracted from 1q12.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": "4047ff0f50e7fd24ce8e034b0849538f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.880,
    "b": 97.278,
    "c": 101.862,
    "alpha": 74.59,
    "beta": 82.47,
    "gamma": 76.85
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15,2.6],
    "number_observations_unique": 124917,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 18.5
      },
      {
        "type": "Completeness",
        "value": 90
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  }
}
  

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


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