Data quality metrics extracted from 5wnq.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": "c989fddee037cfe22861b4077c2b7843",
  "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": 29756585,
    "number_observations_unique": 293167,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.548
      },
      {
        "type": "R(meas)",
        "value": 0.551
      },
      {
        "type": "I/SigI",
        "value": 12.140
      },
      {
        "type": "Completeness",
        "value": 97.400
      },
      {
        "type": "Redundancy",
        "value": 101.500
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.990,2.920],
      "number_observations": 756305,
      "number_observations_unique": 15695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.616
        },
        {
          "type": "R(meas)",
          "value": 6.645
        },
        {
          "type": "I/SigI",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 71.000
        },
        {
          "type": "Redundancy",
          "value": 48.188
        },
        {
          "type": "CC(1/2)",
          "value": 0.198
        }
      ]
    },
    {
      "resolution_limits": [3.070,2.990],
      "number_observations": 1375697,
      "number_observations_unique": 20843,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.161
        },
        {
          "type": "R(meas)",
          "value": 4.179
        },
        {
          "type": "I/SigI",
          "value": 0.260
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 66.003
        },
        {
          "type": "CC(1/2)",
          "value": 0.274
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.070],
      "number_observations": 1949967,
      "number_observations_unique": 20735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.904
        },
        {
          "type": "R(meas)",
          "value": 2.917
        },
        {
          "type": "I/SigI",
          "value": 0.380
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 94.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.599
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.160],
      "number_observations": 2209707,
      "number_observations_unique": 20336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.910
        },
        {
          "type": "R(meas)",
          "value": 1.919
        },
        {
          "type": "I/SigI",
          "value": 1.070
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 108.660
        },
        {
          "type": "CC(1/2)",
          "value": 0.766
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.260],
      "number_observations": 2184969,
      "number_observations_unique": 19672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.209
        },
        {
          "type": "R(meas)",
          "value": 1.215
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 111.070
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.370],
      "number_observations": 2086139,
      "number_observations_unique": 19071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.784
        },
        {
          "type": "R(meas)",
          "value": 0.787
        },
        {
          "type": "I/SigI",
          "value": 2.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 109.388
        },
        {
          "type": "CC(1/2)",
          "value": 0.935
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.490],
      "number_observations": 1901513,
      "number_observations_unique": 18364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.521
        },
        {
          "type": "R(meas)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 4.160
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 103.546
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.770,3.620],
      "number_observations": 2035984,
      "number_observations_unique": 17787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "R(meas)",
          "value": 0.365
        },
        {
          "type": "I/SigI",
          "value": 6.630
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 114.465
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.930,3.770],
      "number_observations": 1931260,
      "number_observations_unique": 17026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "R(meas)",
          "value": 0.254
        },
        {
          "type": "I/SigI",
          "value": 10.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 113.430
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.930],
      "number_observations": 1818666,
      "number_observations_unique": 16310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 16.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 111.506
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.350,4.130],
      "number_observations": 1667030,
      "number_observations_unique": 15535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 22.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 107.308
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.610,4.350],
      "number_observations": 1567853,
      "number_observations_unique": 14646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 32.380
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 107.050
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.930,4.610],
      "number_observations": 1573885,
      "number_observations_unique": 13892,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 53.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 113.294
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [5.330,4.930],
      "number_observations": 1440879,
      "number_observations_unique": 12929,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 76.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 111.446
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [5.830,5.330],
      "number_observations": 1240909,
      "number_observations_unique": 11844,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 115.060
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 104.771
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [6.520,5.830],
      "number_observations": 1212774,
      "number_observations_unique": 10834,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 131.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 111.941
        }
      ]
    },
    {
      "resolution_limits": [7.530,6.520],
      "number_observations": 1059803,
      "number_observations_unique": 9631,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 110.041
        }
      ]
    },
    {
      "resolution_limits": [9.220,7.530],
      "number_observations": 801836,
      "number_observations_unique": 8097,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 99.029
        }
      ]
    },
    {
      "resolution_limits": [13.050,9.220],
      "number_observations": 641115,
      "number_observations_unique": 6413,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 99.971
        }
      ]
    },
    {
      "resolution_limits": [29.981,13.050],
      "number_observations": 300294,
      "number_observations_unique": 3507,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.100
        },
        {
          "type": "Redundancy",
          "value": 85.627
        }
      ]
    }
  ]

}
  

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 13.050 2.990
R(merge) 0.5480 - 4.1610
R(meas) 0.5510 - 4.1790
CC(1/2) 1.000 - 0.274
Completeness [%] 97.4 94.1 96.8
Multiplicity 101.5 85.6 66.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
29.981-13.050 - - - 94.1 85.6
13.050-9.220 - - - 100.0 100.0
9.220-7.530 - - - 99.1 99.0
7.530-6.520 - - - 100.0 110.0
6.520-5.830 - - - 99.9 111.9
5.830-5.330 - - 1.000 99.5 104.8
5.330-4.930 - - 1.000 100.0 111.4
4.930-4.610 0.0370 0.0370 1.000 100.0 113.3
4.610-4.350 0.0520 0.0520 0.999 99.6 108.1
4.350-4.130 0.0890 0.0890 0.999 99.9 107.3
4.130-3.930 0.1430 0.1440 0.997 99.9 111.5
3.930-3.770 0.2520 0.2540 0.995 99.9 113.4
3.770-3.620 0.3630 0.3650 0.989 99.9 114.5
3.620-3.490 0.5210 0.5230 0.965 99.6 103.5
3.490-3.370 0.7840 0.7870 0.935 99.9 109.4
3.370-3.260 1.2090 1.2150 0.872 99.8 112.1
3.260-3.160 1.9100 1.9190 0.766 99.8 108.7
3.160-3.070 2.9040 2.9170 0.599 99.1 94.0
3.070-2.990 4.1610 4.1790 0.274 96.8 66.0
2.990-2.920 6.6160 6.6450 0.198 71.0 48.2