Data quality metrics extracted from 3vay.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": "98e6b98e69b52fcd6120cddf50682420",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.325,
    "b": 92.274,
    "c": 70.191,
    "alpha": 90.00,
    "beta": 108.13,
    "gamma": 90.00
  },
  "wavelengths": [1.70000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.979],
    "number_observations_unique": 35295,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 14.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.98],
      "number_observations_unique": 3770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 90.6
        },
        {
          "type": "Redundancy",
          "value": 14.7
        }
      ]
    }
  ]

}
  

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


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