Data quality metrics extracted from 8gdn.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": "80e23b344379d696e8de388bda05d386",
  "space_group_name": "I 41 3 2",
  "unit_cell": {
    "a": 226.043,
    "b": 226.043,
    "c": 226.043,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.99],
    "number_observations": 1095935,
    "number_observations_unique": 67257,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 16.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.99],
      "number_observations_unique": 6631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.975
        },
        {
          "type": "R(meas)",
          "value": 3.095
        },
        {
          "type": "R(pim)",
          "value": 0.846
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 13.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.300
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.06],
      "number_observations_unique": 6628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.881
        },
        {
          "type": "R(meas)",
          "value": 1.958
        },
        {
          "type": "R(pim)",
          "value": 0.538
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.539
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.14],
      "number_observations_unique": 6629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.402
        },
        {
          "type": "R(meas)",
          "value": 1.458
        },
        {
          "type": "R(pim)",
          "value": 0.395
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.24],
      "number_observations_unique": 6657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.904
        },
        {
          "type": "R(meas)",
          "value": 0.936
        },
        {
          "type": "R(pim)",
          "value": 0.242
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.871
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.36],
      "number_observations_unique": 6667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.545
        },
        {
          "type": "R(meas)",
          "value": 0.564
        },
        {
          "type": "R(pim)",
          "value": 0.142
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.51],
      "number_observations_unique": 6681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        },
        {
          "type": "R(meas)",
          "value": 0.374
        },
        {
          "type": "R(pim)",
          "value": 0.092
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 16.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.70],
      "number_observations_unique": 6721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(meas)",
          "value": 0.205
        },
        {
          "type": "R(pim)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 18.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.40,2.97],
      "number_observations_unique": 6743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 19.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.29,3.40],
      "number_observations_unique": 6802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 19.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.29],
      "number_observations_unique": 7098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 18.4
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.140
High resolution limit [Å] 1.990 4.290 2.060
R(merge) 0.0910 0.0410 1.8810
R(meas) 0.0940 0.0430 1.9580
R(pim) 0.0220 0.0100 0.5380
CC(1/2) 0.997 1.000 0.539
Completeness [%] 100.0 100.0 100.0
Multiplicity 16.3 18.4 13.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-4.290 0.0410 0.0430 0.0100 1.000 100.0 18.4
4.290-3.400 0.0710 0.0730 0.0160 0.999 100.0 19.6
3.400-2.970 0.1210 0.1250 0.0280 0.997 100.0 19.2
2.970-2.700 0.2000 0.2050 0.0470 0.993 100.0 18.9
2.700-2.510 0.3620 0.3740 0.0920 0.978 100.0 16.3
2.510-2.360 0.5450 0.5640 0.1420 0.951 100.0 15.6
2.360-2.240 0.9040 0.9360 0.2420 0.871 100.0 14.9
2.240-2.140 1.4020 1.4580 0.3950 0.776 100.0 13.5
2.140-2.060 1.8810 1.9580 0.5380 0.539 100.0 13.1
2.060-1.990 2.9750 3.0950 0.8460 0.300 99.9 13.1