Data quality metrics extracted from 5wnp.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": "1997bc22d133178c96e8f1410c3fd3e3",
  "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": [29.981,2.900],
    "number_observations": 23797436,
    "number_observations_unique": 298139,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.830
      },
      {
        "type": "R(meas)",
        "value": 0.835
      },
      {
        "type": "I/SigI",
        "value": 7.290
      },
      {
        "type": "Completeness",
        "value": 97.600
      },
      {
        "type": "Redundancy",
        "value": 79.820
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.980,2.900],
      "number_observations": 553133,
      "number_observations_unique": 15653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.130
        },
        {
          "type": "R(meas)",
          "value": 6.165
        },
        {
          "type": "I/SigI",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 69.800
        },
        {
          "type": "Redundancy",
          "value": 35.337
        },
        {
          "type": "CC(1/2)",
          "value": 0.160
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.980],
      "number_observations": 1137350,
      "number_observations_unique": 21520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.762
        },
        {
          "type": "R(meas)",
          "value": 3.783
        },
        {
          "type": "I/SigI",
          "value": 0.290
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 52.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.243
        }
      ]
    },
    {
      "resolution_limits": [3.150,3.060],
      "number_observations": 1683892,
      "number_observations_unique": 21263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.745
        },
        {
          "type": "R(meas)",
          "value": 2.760
        },
        {
          "type": "I/SigI",
          "value": 0.470
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 79.194
        },
        {
          "type": "CC(1/2)",
          "value": 0.353
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.150],
      "number_observations": 1796178,
      "number_observations_unique": 20571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.922
        },
        {
          "type": "R(meas)",
          "value": 1.933
        },
        {
          "type": "I/SigI",
          "value": 0.630
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 87.316
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.250],
      "number_observations": 1766510,
      "number_observations_unique": 20024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.358
        },
        {
          "type": "R(meas)",
          "value": 1.367
        },
        {
          "type": "I/SigI",
          "value": 1.260
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 88.220
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.350],
      "number_observations": 1677312,
      "number_observations_unique": 19394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.922
        },
        {
          "type": "R(meas)",
          "value": 0.927
        },
        {
          "type": "I/SigI",
          "value": 2.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 86.486
        },
        {
          "type": "CC(1/2)",
          "value": 0.830
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.470],
      "number_observations": 1518032,
      "number_observations_unique": 18726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.666
        },
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "I/SigI",
          "value": 2.920
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 81.065
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [3.750,3.600],
      "number_observations": 1613152,
      "number_observations_unique": 17999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.494
        },
        {
          "type": "R(meas)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 4.270
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 89.625
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.750],
      "number_observations": 1547001,
      "number_observations_unique": 17294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "R(meas)",
          "value": 0.368
        },
        {
          "type": "I/SigI",
          "value": 6.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 89.453
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [4.100,3.910],
      "number_observations": 1459761,
      "number_observations_unique": 16554,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "R(meas)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 9.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 88.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [4.330,4.100],
      "number_observations": 1349657,
      "number_observations_unique": 15783,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "I/SigI",
          "value": 12.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 85.513
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.590,4.330],
      "number_observations": 1229246,
      "number_observations_unique": 14933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 16.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 82.317
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.590],
      "number_observations": 1244816,
      "number_observations_unique": 14055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 21.350
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 88.567
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.300,4.910],
      "number_observations": 1139929,
      "number_observations_unique": 13140,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 31.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 86.753
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.810,5.300],
      "number_observations": 993785,
      "number_observations_unique": 12122,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 38.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 81.982
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.490,5.810],
      "number_observations": 933197,
      "number_observations_unique": 10978,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 53.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 85.006
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [7.490,6.490],
      "number_observations": 820396,
      "number_observations_unique": 9748,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 58.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 84.160
        }
      ]
    },
    {
      "resolution_limits": [9.180,7.490],
      "number_observations": 609725,
      "number_observations_unique": 8282,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 73.620
        }
      ]
    },
    {
      "resolution_limits": [12.980,9.180],
      "number_observations": 485786,
      "number_observations_unique": 6524,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 74.461
        }
      ]
    },
    {
      "resolution_limits": [29.981,12.980],
      "number_observations": 238578,
      "number_observations_unique": 3576,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.900
        },
        {
          "type": "Redundancy",
          "value": 66.716
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.981 29.981 3.060
High resolution limit [Å] 2.900 12.980 2.980
R(merge) 0.8300 - 3.7620
R(meas) 0.8350 - 3.7830
CC(1/2) 0.999 - 0.243
Completeness [%] 97.6 94.9 98.7
Multiplicity 79.8 66.7 52.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
29.981-12.980 - - - 94.9 66.7
12.980-9.180 - - - 100.0 74.5
9.180-7.490 - - - 99.8 73.6
7.490-6.490 - - - 100.0 84.2
6.490-5.810 - - 1.000 100.0 85.0
5.810-5.300 - - 0.999 100.0 82.0
5.300-4.910 - - 0.999 100.0 86.8
4.910-4.590 0.0680 0.0690 0.998 100.0 88.6
4.590-4.330 0.0970 0.0980 0.996 100.0 82.3
4.330-4.100 0.1530 0.1540 0.992 100.0 85.5
4.100-3.910 0.2270 0.2280 0.988 100.0 88.2
3.910-3.750 0.3650 0.3680 0.976 99.9 89.5
3.750-3.600 0.4940 0.4970 0.943 99.9 89.6
3.600-3.470 0.6660 0.6700 0.902 99.9 82.1
3.470-3.350 0.9220 0.9270 0.830 99.9 86.5
3.350-3.250 1.3580 1.3670 0.728 99.9 88.2
3.250-3.150 1.9220 1.9330 0.561 99.9 87.3
3.150-3.060 2.7450 2.7600 0.353 99.8 79.2
3.060-2.980 3.7620 3.7830 0.243 98.7 52.9
2.980-2.900 6.1300 6.1650 0.160 69.8 35.3