Data quality metrics extracted from 7vqb.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": "886de72627ef17be996c27e4474ca329",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.642,
    "b": 80.778,
    "c": 59.806,
    "alpha": 90.00,
    "beta": 103.56,
    "gamma": 90.00
  },
  "wavelengths": [1.34138],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.04,1.960],
    "number_observations_unique": 33955,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "R(meas)",
        "value": 0.121
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 9.700
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 5.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.010,1.960],
      "number_observations": 4053,
      "number_observations_unique": 1509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.652
        },
        {
          "type": "R(meas)",
          "value": 0.790
        },
        {
          "type": "R(pim)",
          "value": 0.433
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 61.100
        },
        {
          "type": "Redundancy",
          "value": 2.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.674
        }
      ]
    },
    {
      "resolution_limits": [24.700,9.000],
      "number_observations": 2014,
      "number_observations_unique": 371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 31.500
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 33.040 24.700 24.700
High resolution limit [Å] 1.960 9.000 9.000
R(merge) 0.1090 0.0310 0.0310
R(meas) 0.1210 0.0350 0.0350
R(pim) 0.0510 0.0150 0.0150
CC(1/2) 0.997 0.999 0.999
Completeness [%] 97.2 95.3 95.3
Multiplicity 5.3 5.4 5.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
24.700-9.000 0.0310 0.0350 0.0150 0.999 95.3 5.4
2.010-1.960 0.6520 0.7900 0.4330 0.674 61.1 2.7