Data quality metrics extracted from 8tvd.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": "59b099742a1204de1225e776fc17719c",
  "space_group_name": "P 41 2 2",
  "unit_cell": {
    "a": 107.812,
    "b": 107.812,
    "c": 316.850,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,3.05],
    "number_observations_unique": 35457,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.3
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 15.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.10,3.05],
      "number_observations_unique": 1719,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.961
        },
        {
          "type": "R(meas)",
          "value": 3.058
        },
        {
          "type": "R(pim)",
          "value": 0.756
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 16.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.571
        }
      ]
    },
    {
      "resolution_limits": [3.16,3.10],
      "number_observations_unique": 1758,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.447
        },
        {
          "type": "R(meas)",
          "value": 2.534
        },
        {
          "type": "R(pim)",
          "value": 0.653
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.551
        }
      ]
    },
    {
      "resolution_limits": [3.22,3.16],
      "number_observations_unique": 1739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.269
        },
        {
          "type": "R(meas)",
          "value": 2.343
        },
        {
          "type": "R(pim)",
          "value": 0.580
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 16.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.22],
      "number_observations_unique": 1738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.025
        },
        {
          "type": "R(meas)",
          "value": 2.086
        },
        {
          "type": "R(pim)",
          "value": 0.495
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 17.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.661
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.29],
      "number_observations_unique": 1748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.680
        },
        {
          "type": "R(meas)",
          "value": 1.731
        },
        {
          "type": "R(pim)",
          "value": 0.413
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 17.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.789
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.36],
      "number_observations_unique": 1756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.380
        },
        {
          "type": "R(meas)",
          "value": 1.425
        },
        {
          "type": "R(pim)",
          "value": 0.351
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.802
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.43],
      "number_observations_unique": 1740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.147
        },
        {
          "type": "R(meas)",
          "value": 1.182
        },
        {
          "type": "R(pim)",
          "value": 0.281
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 17.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.881
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.52],
      "number_observations_unique": 1753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.015
        },
        {
          "type": "R(meas)",
          "value": 1.046
        },
        {
          "type": "R(pim)",
          "value": 0.247
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 17.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.880
        }
      ]
    },
    {
      "resolution_limits": [3.72,3.62],
      "number_observations_unique": 1753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.866
        },
        {
          "type": "R(meas)",
          "value": 0.893
        },
        {
          "type": "R(pim)",
          "value": 0.213
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 17.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    },
    {
      "resolution_limits": [3.84,3.72],
      "number_observations_unique": 1760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.715
        },
        {
          "type": "R(meas)",
          "value": 0.738
        },
        {
          "type": "R(pim)",
          "value": 0.179
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 17.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.84],
      "number_observations_unique": 1765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.613
        },
        {
          "type": "R(meas)",
          "value": 0.634
        },
        {
          "type": "R(pim)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 16.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.934
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.98],
      "number_observations_unique": 1755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.528
        },
        {
          "type": "R(meas)",
          "value": 0.547
        },
        {
          "type": "R(pim)",
          "value": 0.139
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 15.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [4.33,4.14],
      "number_observations_unique": 1763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.435
        },
        {
          "type": "R(meas)",
          "value": 0.453
        },
        {
          "type": "R(pim)",
          "value": 0.121
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 14.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [4.56,4.33],
      "number_observations_unique": 1753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "R(meas)",
          "value": 0.374
        },
        {
          "type": "R(pim)",
          "value": 0.109
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 12.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [4.84,4.56],
      "number_observations_unique": 1766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "R(pim)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 11.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [5.21,4.84],
      "number_observations_unique": 1757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "R(pim)",
          "value": 0.092
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 13.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [5.74,5.21],
      "number_observations_unique": 1799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(meas)",
          "value": 0.301
        },
        {
          "type": "R(pim)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 14.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [6.57,5.74],
      "number_observations_unique": 1820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "R(meas)",
          "value": 0.269
        },
        {
          "type": "R(pim)",
          "value": 0.071
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 15.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [8.27,6.57],
      "number_observations_unique": 1859,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "R(meas)",
          "value": 0.215
        },
        {
          "type": "R(pim)",
          "value": 0.065
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [50.00,8.27],
      "number_observations_unique": 1956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "Redundancy",
          "value": 10.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.160
High resolution limit [Å] 3.050 8.270 3.100
R(merge) - 0.1270 2.4470
R(meas) - 0.1360 2.5340
R(pim) - 0.0460 0.6530
CC(1/2) 0.600 0.982 0.551
Completeness [%] 99.4 97.3 100.0
Multiplicity 15.2 10.3 14.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-8.270 0.1270 0.1360 0.0460 0.982 97.3 10.3
8.270-6.570 0.2030 0.2150 0.0650 0.969 99.1 12.8
6.570-5.740 0.2590 0.2690 0.0710 0.977 99.5 15.5
5.740-5.210 0.2880 0.3010 0.0810 0.961 99.0 14.8
5.210-4.840 0.3080 0.3230 0.0920 0.924 98.8 13.1
4.840-4.560 0.3220 0.3390 0.1020 0.886 98.2 11.6
4.560-4.330 0.3570 0.3740 0.1090 0.943 98.5 12.2
4.330-4.140 0.4350 0.4530 0.1210 0.943 99.2 14.5
4.140-3.980 0.5280 0.5470 0.1390 0.933 99.8 15.7
3.980-3.840 0.6130 0.6340 0.1570 0.934 99.7 16.4
3.840-3.720 0.7150 0.7380 0.1790 0.905 99.9 17.0
3.720-3.620 0.8660 0.8930 0.2130 0.903 100.0 17.3
3.620-3.520 1.0150 1.0460 0.2470 0.880 100.0 17.6
3.520-3.430 1.1470 1.1820 0.2810 0.881 99.9 17.4
3.430-3.360 1.3800 1.4250 0.3510 0.802 99.9 16.2
3.360-3.290 1.6800 1.7310 0.4130 0.789 99.9 17.2
3.290-3.220 2.0250 2.0860 0.4950 0.661 99.9 17.4
3.220-3.160 2.2690 2.3430 0.5800 0.617 100.0 16.0
3.160-3.100 2.4470 2.5340 0.6530 0.551 100.0 14.9
3.100-3.050 2.9610 3.0580 0.7560 0.571 100.0 16.1