Data quality metrics extracted from 8vqw.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": "6e35069b44460e1c717b605d228cd365",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.818,
    "b": 101.008,
    "c": 123.928,
    "alpha": 90.00,
    "beta": 95.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.27,2.20],
    "number_observations": 734621,
    "number_observations_unique": 104242,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.143
      },
      {
        "type": "R(meas)",
        "value": 0.155
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.20],
      "number_observations": 56861,
      "number_observations_unique": 7708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.282
        },
        {
          "type": "R(meas)",
          "value": 1.379
        },
        {
          "type": "R(pim)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.678
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 47.270 2.260
High resolution limit [Å] 2.200 2.200
R(merge) 0.1430 1.2820
R(meas) 0.1550 1.3790
R(pim) 0.0580 0.5040
CC(1/2) 0.997 0.678
Completeness [%] 99.9 -
Multiplicity 7.0 7.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
2.260-2.200 1.2820 1.3790 0.5040 0.678 7.4