Data quality metrics extracted from 6p6m.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": "96dbfc6a315eea6401226641ad074e43",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.226,
    "b": 58.550,
    "c": 60.356,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.825,2.201],
    "number_observations_unique": 9722,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1066
      },
      {
        "type": "I/SigI",
        "value": 13.24
      },
      {
        "type": "Completeness",
        "value": 97.04
      },
      {
        "type": "Redundancy",
        "value": 5.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.201],
      "number_observations_unique": 842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3488
        }
      ]
    }
  ]

}
  

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


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