Data quality metrics extracted from 8bdx.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": "0bfc8565806379b91cedf8eb447165ec",
  "space_group_name": "P 32",
  "unit_cell": {
    "a": 82.341,
    "b": 82.341,
    "c": 168.960,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.31,2.928],
    "number_observations_unique": 25269,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 14.300
      },
      {
        "type": "Completeness",
        "value": 93.500
      },
      {
        "type": "Redundancy",
        "value": 5.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.060,2.928],
      "number_observations": 6373,
      "number_observations_unique": 1264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.386
        },
        {
          "type": "R(meas)",
          "value": 1.549
        },
        {
          "type": "R(pim)",
          "value": 0.689
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 43.900
        },
        {
          "type": "Redundancy",
          "value": 5.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.455
        }
      ]
    },
    {
      "resolution_limits": [71.309,8.170],
      "number_observations": 6472,
      "number_observations_unique": 1263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 44.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 71.310 71.309 71.309
High resolution limit [Å] 2.928 8.170 8.170
R(merge) 0.0690 0.0250 0.0250
R(meas) 0.0770 0.0280 0.0280
R(pim) 0.0330 0.0120 0.0120
CC(1/2) 0.999 0.999 0.999
Completeness [%] 93.5 100.0 100.0
Multiplicity 5.3 5.1 5.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
71.309-8.170 0.0250 0.0280 0.0120 0.999 100.0 5.1
3.060-2.928 1.3860 1.5490 0.6890 0.455 43.9 5.0