Data quality metrics extracted from 7bqo.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": "2be05fe5397edee3254291ec1fd3c1d7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 97.113,
    "b": 145.917,
    "c": 90.061,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97855],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.721,1.530],
    "number_observations_unique": 96254,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 20.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.560,1.530],
      "number_observations": 57721,
      "number_observations_unique": 4709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.077
        },
        {
          "type": "R(meas)",
          "value": 1.125
        },
        {
          "type": "R(pim)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.860
        }
      ]
    },
    {
      "resolution_limits": [19.720,8.380],
      "number_observations": 7932,
      "number_observations_unique": 610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 56.200
        },
        {
          "type": "Completeness",
          "value": 92.300
        },
        {
          "type": "Redundancy",
          "value": 13.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 19.721 19.720 19.720
High resolution limit [Å] 1.530 8.380 8.380
R(merge) 0.0800 0.0400 0.0400
R(meas) 0.0830 0.0420 0.0420
R(pim) 0.0230 0.0120 0.0120
CC(1/2) 0.999 0.999 0.999
Completeness [%] 99.9 92.3 92.3
Multiplicity 13.2 13.0 13.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
19.720-8.380 0.0400 0.0420 0.0120 0.999 92.3 13.0
1.560-1.530 1.0770 1.1250 0.3210 0.860 99.9 12.3