Data quality metrics extracted from 9fvq.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": "a2451d111a12f3948b6824b99843f2a4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.836,
    "b": 84.662,
    "c": 86.965,
    "alpha": 89.959,
    "beta": 118.666,
    "gamma": 113.585
  },
  "wavelengths": [0.99900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.72,2.03],
    "number_observations_unique": 116549,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 96.64
      },
      {
        "type": "Redundancy",
        "value": 3.36
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.03],
      "number_observations_unique": 4548,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 74.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.721
        }
      ]
    }
  ]

}
  

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


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