Data quality metrics extracted from 6vas.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": "235d4cc9087c42960e1493fb8a984de4",
  "space_group_name": "P 3 2 1",
  "unit_cell": {
    "a": 50.63,
    "b": 50.63,
    "c": 76.05,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.73,1.49],
    "number_observations_unique": 18936,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.108
      },
      {
        "type": "R(pim)",
        "value": 0.0238
      },
      {
        "type": "I/SigI",
        "value": 15.96
      },
      {
        "type": "Completeness",
        "value": 99.65
      },
      {
        "type": "Redundancy",
        "value": 21.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.543,1.49],
      "number_observations_unique": 1814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.045
        },
        {
          "type": "R(meas)",
          "value": 2.094
        },
        {
          "type": "R(pim)",
          "value": 0.4476
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "Completeness",
          "value": 98.53
        },
        {
          "type": "Redundancy",
          "value": 21.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    }
  ]

}
  

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


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