Data quality metrics extracted from 7vd4.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": "4acc849c9010295131c412727d9d8d39",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.923,
    "b": 27.219,
    "c": 38.727,
    "alpha": 90.000,
    "beta": 98.031,
    "gamma": 90.000
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,1.85],
    "number_observations_unique": 9679,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 97.7
      },
      {
        "type": "Completeness",
        "value": 96.37
      },
      {
        "type": "Redundancy",
        "value": 6.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.897
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.925,1.858],
      "number_observations_unique": 840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.456
        },
        {
          "type": "R(meas)",
          "value": 0.512
        },
        {
          "type": "R(pim)",
          "value": 0.209
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    }
  ]

}
  

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


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