Data quality metrics extracted from 8r7t.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": "fed65efe68539ac23b2bdd918e8d9d55",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.312,
    "b": 118.520,
    "c": 46.535,
    "alpha": 90.00,
    "beta": 103.53,
    "gamma": 90.00
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.27,1.20],
    "number_observations_unique": 125282,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 15.03
      },
      {
        "type": "Completeness",
        "value": 99.87
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "number_observations_unique": 12479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.000
        },
        {
          "type": "R(pim)",
          "value": 0.432
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    }
  ]

}
  

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


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