Data quality metrics extracted from 6m3i.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": "fc3c0e67d5d45bc95a5d6267aa5b191e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.858,
    "b": 84.179,
    "c": 81.731,
    "alpha": 90.00,
    "beta": 107.49,
    "gamma": 90.00
  },
  "wavelengths": [0.97849],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.98],
    "number_observations_unique": 44217,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 14.1
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.98],
      "number_observations_unique": 2414,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.385
        }
      ]
    }
  ]

}
  

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


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