Data quality metrics extracted from 6fv3.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": "6fe53ab371389abe3ef39da282cd3ce1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.45,
    "b": 86.39,
    "c": 89.93,
    "alpha": 88.12,
    "beta": 75.58,
    "gamma": 69.79
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.23,2.58],
    "number_observations_unique": 51044,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.173
      },
      {
        "type": "R(meas)",
        "value": 0.245
      },
      {
        "type": "R(pim)",
        "value": 0.173
      },
      {
        "type": "I/SigI",
        "value": 4.3
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.960
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.6296,2.5800],
      "number_observations_unique": 555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.902
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "R(pim)",
          "value": 0.902
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 98
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.434
        }
      ]
    }
  ]

}
  

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


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