Data quality metrics extracted from 6fox.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": "7d53670105074e110f280c643843ce1d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.908,
    "b": 52.542,
    "c": 136.173,
    "alpha": 90.000,
    "beta": 104.142,
    "gamma": 90.000
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.02,1.899],
    "number_observations_unique": 74533,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0617
      },
      {
        "type": "R(pim)",
        "value": 0.03467
      },
      {
        "type": "I/SigI",
        "value": 14.28
      },
      {
        "type": "Completeness",
        "value": 97.73
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.967,1.899],
      "number_observations_unique": 7153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1846
        },
        {
          "type": "R(pim)",
          "value": 0.1034
        },
        {
          "type": "I/SigI",
          "value": 5.43
        },
        {
          "type": "Completeness",
          "value": 94.67
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    }
  ]

}
  

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


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