Data quality metrics extracted from 8wvt.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": "7ae9e2ba4c12a7f54a7db07feec4f08b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.921,
    "b": 61.804,
    "c": 75.633,
    "alpha": 74.61,
    "beta": 81.74,
    "gamma": 76.79
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.284,1.75],
    "number_observations_unique": 76354,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.145
      },
      {
        "type": "R(meas)",
        "value": 0.206
      },
      {
        "type": "R(pim)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 95.26
      },
      {
        "type": "Redundancy",
        "value": 1.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.885
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.813,1.75],
      "number_observations_unique": 3815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.437
        },
        {
          "type": "R(meas)",
          "value": 0.293
        },
        {
          "type": "R(pim)",
          "value": 0.528
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 86.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.800
        }
      ]
    }
  ]

}
  

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


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