Data quality metrics extracted from 6c6x.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": "514cfcd47f35ad8e54b259a104d4f437",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.698,
    "b": 129.804,
    "c": 84.003,
    "alpha": 90.00,
    "beta": 110.01,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.990],
    "number_observations_unique": 103552,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12000
      },
      {
        "type": "I/SigI",
        "value": 7.7100
      },
      {
        "type": "Completeness",
        "value": 90.8
      },
      {
        "type": "Redundancy",
        "value": 2.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,1.99],
      "number_observations_unique": 7096,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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