Data quality metrics extracted from 6vhw.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": "3b55d38369eef681c47bdd548596ed25",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.436,
    "b": 60.284,
    "c": 80.253,
    "alpha": 90.000,
    "beta": 101.009,
    "gamma": 90.000
  },
  "wavelengths": [1.03322],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.78,1.83],
    "number_observations_unique": 60901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.103
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 10.8
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.83],
      "number_observations_unique": 3129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.177
        },
        {
          "type": "R(meas)",
          "value": 2.354
        },
        {
          "type": "R(pim)",
          "value": 0.890
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.320
        }
      ]
    }
  ]

}
  

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


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