Data quality metrics extracted from 1vqz.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": "ee4cf13d404569203c30156b0d5c6dad",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.503,
    "b": 70.280,
    "c": 113.629,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97972,0.95688,0.97969],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.10,1.990],
    "number_observations_unique": 25714,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 14.2
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 10.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,1.99],
      "number_observations_unique": 3632,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 8.8
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 29.100 2.100
High resolution limit [Å] 1.990 1.990
R(merge) 0.1330 0.7170
Completeness [%] 99.8 98.8
Multiplicity 10.4 8.8


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.100-1.990 0.7170 98.8 8.8