Data quality metrics extracted from 3m3i.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": "36b64c25812968cca2d43bad1f38c620",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.979,
    "b": 98.429,
    "c": 100.758,
    "alpha": 71.87,
    "beta": 80.19,
    "gamma": 89.57
  },
  "wavelengths": [1.07811],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.716,2.350],
    "number_observations_unique": 73773,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "Completeness",
        "value": 93.000
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  }
}
  

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


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