Data quality metrics extracted from 6foy.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": "1f47d44537bedfaefd22821d659289c7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.800,
    "b": 52.977,
    "c": 135.765,
    "alpha": 90.000,
    "beta": 103.833,
    "gamma": 90.000
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.78,1.65],
    "number_observations_unique": 115076,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05683
      },
      {
        "type": "R(pim)",
        "value": 0.03797
      },
      {
        "type": "I/SigI",
        "value": 10.99
      },
      {
        "type": "Completeness",
        "value": 98.23
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.709,1.65],
      "number_observations_unique": 10780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6193
        },
        {
          "type": "R(pim)",
          "value": 0.5095
        },
        {
          "type": "I/SigI",
          "value": 1.49
        },
        {
          "type": "Completeness",
          "value": 89.92
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.526
        }
      ]
    }
  ]

}
  

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


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