Data quality metrics extracted from 1of6.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": "dae3b67bfbc868fc462841c480ec9a02",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 82.129,
    "b": 94.696,
    "c": 104.843,
    "alpha": 64.71,
    "beta": 85.51,
    "gamma": 75.61
  },
  "wavelengths": [0.84630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.050],
    "number_observations_unique": 407127,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06700
      },
      {
        "type": "I/SigI",
        "value": 10.1000
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 2.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.05],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28000
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 89.1
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    }
  ]

}
  

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


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