Data quality metrics extracted from 7vdq.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": "9bc1a96507d0ab46e8e5903dc5d9ac59",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 117.61,
    "b": 117.61,
    "c": 154.01,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.12709],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.670,2.910],
    "number_observations": 548565,
    "number_observations_unique": 27572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.173
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 15.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 19.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.990,2.910],
      "number_observations": 42125,
      "number_observations_unique": 1995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.786
        },
        {
          "type": "R(meas)",
          "value": 1.830
        },
        {
          "type": "R(pim)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.690
        }
      ]
    },
    {
      "resolution_limits": [38.670,13.010],
      "number_observations": 4974,
      "number_observations_unique": 340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 37.800
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 14.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 38.670 38.670
High resolution limit [Å] 2.910 13.010
R(merge) 0.1690 0.0640
R(meas) 0.1730 0.0660
R(pim) 0.0390 0.0160
CC(1/2) 0.998 0.997
Completeness [%] 99.9 95.7
Multiplicity 19.9 14.6


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
38.670-13.010 0.0640 0.0660 0.0160 0.997 95.7 14.6
2.990-2.910 1.7860 1.8300 0.3940 0.690 100.0 21.1