Data quality metrics extracted from 5wnr.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": "ac980177890a882c8672eb90f0490e8c",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 400.0,
    "b": 400.0,
    "c": 173.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.981,2.920],
    "number_observations": 20736692,
    "number_observations_unique": 296921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.184
      },
      {
        "type": "R(meas)",
        "value": 1.193
      },
      {
        "type": "I/SigI",
        "value": 6.040
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 69.839
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.990,2.920],
      "number_observations": 605278,
      "number_observations_unique": 19226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.317
        },
        {
          "type": "R(meas)",
          "value": 6.356
        },
        {
          "type": "I/SigI",
          "value": 0.460
        },
        {
          "type": "Completeness",
          "value": 86.800
        },
        {
          "type": "Redundancy",
          "value": 31.482
        },
        {
          "type": "CC(1/2)",
          "value": 0.196
        }
      ]
    },
    {
      "resolution_limits": [3.070,2.990],
      "number_observations": 1091274,
      "number_observations_unique": 20958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.622
        },
        {
          "type": "R(meas)",
          "value": 3.645
        },
        {
          "type": "I/SigI",
          "value": 0.490
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 52.070
        },
        {
          "type": "CC(1/2)",
          "value": 0.362
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.070],
      "number_observations": 1230013,
      "number_observations_unique": 20468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.206
        },
        {
          "type": "R(meas)",
          "value": 2.219
        },
        {
          "type": "I/SigI",
          "value": 0.010
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 60.094
        },
        {
          "type": "CC(1/2)",
          "value": 0.538
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.160],
      "number_observations": 1304819,
      "number_observations_unique": 20180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.408
        },
        {
          "type": "R(meas)",
          "value": 1.417
        },
        {
          "type": "I/SigI",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 64.659
        },
        {
          "type": "CC(1/2)",
          "value": 0.702
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.260],
      "number_observations": 1232061,
      "number_observations_unique": 19610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.950
        },
        {
          "type": "R(meas)",
          "value": 0.957
        },
        {
          "type": "I/SigI",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 62.828
        },
        {
          "type": "CC(1/2)",
          "value": 0.836
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.370],
      "number_observations": 1296480,
      "number_observations_unique": 19082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.620
        },
        {
          "type": "R(meas)",
          "value": 0.624
        },
        {
          "type": "I/SigI",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 67.943
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.480],
      "number_observations": 1267777,
      "number_observations_unique": 18480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.313
        },
        {
          "type": "I/SigI",
          "value": 0.330
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 68.603
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [3.760,3.620],
      "number_observations": 1461787,
      "number_observations_unique": 17803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 0.620
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 82.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.930,3.760],
      "number_observations": 1429545,
      "number_observations_unique": 17073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 83.731
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.120,3.930],
      "number_observations": 1351489,
      "number_observations_unique": 16350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 1.480
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 82.660
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.350,4.120],
      "number_observations": 1238112,
      "number_observations_unique": 15522,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 79.765
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.610,4.350],
      "number_observations": 1169686,
      "number_observations_unique": 14738,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 79.365
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [4.930,4.610],
      "number_observations": 1173963,
      "number_observations_unique": 13890,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 84.519
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [5.320,4.930],
      "number_observations": 1074230,
      "number_observations_unique": 12951,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 9.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 82.946
        }
      ]
    },
    {
      "resolution_limits": [5.830,5.320],
      "number_observations": 920121,
      "number_observations_unique": 11934,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 14.490
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 77.101
        }
      ]
    },
    {
      "resolution_limits": [6.520,5.830],
      "number_observations": 890902,
      "number_observations_unique": 10865,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 81.997
        }
      ]
    },
    {
      "resolution_limits": [7.530,6.520],
      "number_observations": 762451,
      "number_observations_unique": 9644,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 39.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 79.060
        }
      ]
    },
    {
      "resolution_limits": [9.220,7.530],
      "number_observations": 565361,
      "number_observations_unique": 8167,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 64.530
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 69.225
        }
      ]
    },
    {
      "resolution_limits": [13.040,9.220],
      "number_observations": 447610,
      "number_observations_unique": 6430,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 77.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 69.613
        }
      ]
    },
    {
      "resolution_limits": [29.981,13.040],
      "number_observations": 223733,
      "number_observations_unique": 3550,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 63.023
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.981 29.981 3.070
High resolution limit [Å] 2.920 13.040 2.990
R(merge) 1.1840 - 3.6220
R(meas) 1.1930 - 3.6450
CC(1/2) 0.998 - 0.362
Completeness [%] 98.4 95.2 97.3
Multiplicity 69.8 63.0 53.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
29.981-13.040 - - - 95.2 63.0
13.040-9.220 - - - 100.0 69.6
9.220-7.530 - - - 99.8 69.2
7.530-6.520 - - - 100.0 80.1
6.520-5.830 - - - 100.0 82.0
5.830-5.320 - - - 99.9 77.1
5.320-4.930 - - - 99.9 82.9
4.930-4.610 - - 1.000 99.9 84.5
4.610-4.350 - - 1.000 99.9 79.4
4.350-4.120 - - 0.999 99.8 79.8
4.120-3.930 0.0490 0.0500 0.998 99.9 82.7
3.930-3.760 0.0850 0.0860 0.993 99.9 83.7
3.760-3.620 0.1710 0.1720 0.982 99.9 82.1
3.620-3.480 0.3110 0.3130 0.964 99.9 68.6
3.480-3.370 0.6200 0.6240 0.929 99.7 67.9
3.370-3.260 0.9500 0.9570 0.836 99.2 62.8
3.260-3.160 1.4080 1.4170 0.702 99.0 64.7
3.160-3.070 2.2060 2.2190 0.538 97.5 61.1
3.070-2.990 3.6220 3.6450 0.362 97.3 53.1
2.990-2.920 6.3170 6.3560 0.196 86.8 31.5