Data quality metrics extracted from 6vlb.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": "1caeabc65c6e12a0af3b0ecad43871c6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 211.55,
    "b": 49.51,
    "c": 81.22,
    "alpha": 90.00,
    "beta": 90.93,
    "gamma": 90.00
  },
  "wavelengths": [1.12709],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.,1.85],
    "number_observations_unique": 71340,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 10.80
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.46
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.85],
      "number_observations_unique": 19336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "R(meas)",
          "value": 0.498
        },
        {
          "type": "I/SigI",
          "value": 2.65
        },
        {
          "type": "Completeness",
          "value": 97.0
        },
        {
          "type": "Redundancy",
          "value": 3.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.890
        }
      ]
    }
  ]

}
  

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


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