Data quality metrics extracted from 5zcp.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": "45d8924b649e1f9b8786f5727e78acbf",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 183.320,
    "b": 206.171,
    "c": 177.625,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [200.000,1.650],
    "number_observations_unique": 795454,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 49.611
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 18.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.650],
      "number_observations_unique": 19806,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.998
        },
        {
          "type": "I/SigI",
          "value": 3.112
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.100
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.660],
      "number_observations_unique": 19772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.912
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.680],
      "number_observations_unique": 19738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.846
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.690],
      "number_observations_unique": 19810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.753
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.300
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.710],
      "number_observations_unique": 19763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.671
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.730],
      "number_observations_unique": 19795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.598
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.740],
      "number_observations_unique": 19759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.621
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.500
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.760],
      "number_observations_unique": 19803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.579
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.600
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.780],
      "number_observations_unique": 19747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.518
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.600
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.800],
      "number_observations_unique": 19793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.464
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.800
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.820],
      "number_observations_unique": 19797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.423
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.300
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.840],
      "number_observations_unique": 19743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.860],
      "number_observations_unique": 19801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.880],
      "number_observations_unique": 19876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.500
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.900],
      "number_observations_unique": 19836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.500
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.930],
      "number_observations_unique": 19762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.600
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.960],
      "number_observations_unique": 19821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.600
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.980],
      "number_observations_unique": 19804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.800
        }
      ]
    },
    {
      "resolution_limits": [2.050,2.010],
      "number_observations_unique": 19809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.080,2.050],
      "number_observations_unique": 19841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.080],
      "number_observations_unique": 19840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.110],
      "number_observations_unique": 19826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.150],
      "number_observations_unique": 19858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.190],
      "number_observations_unique": 19840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.240],
      "number_observations_unique": 19868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.290],
      "number_observations_unique": 19920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.340],
      "number_observations_unique": 19830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.800
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.400],
      "number_observations_unique": 19881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.700
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.460],
      "number_observations_unique": 19888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.700
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.540],
      "number_observations_unique": 19959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.800
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.620],
      "number_observations_unique": 19878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.800
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.710],
      "number_observations_unique": 19964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.600
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.820],
      "number_observations_unique": 19932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.500
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.950],
      "number_observations_unique": 19979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.100
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.110],
      "number_observations_unique": 19981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.600
        }
      ]
    },
    {
      "resolution_limits": [3.550,3.300],
      "number_observations_unique": 20055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.400
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.550],
      "number_observations_unique": 20084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.800
        }
      ]
    },
    {
      "resolution_limits": [4.480,3.911],
      "number_observations_unique": 20116,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 23.800
        }
      ]
    },
    {
      "resolution_limits": [5.640,4.481],
      "number_observations_unique": 20215,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [200.000,5.641],
      "number_observations_unique": 20664,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 21.600
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 200.000 200.000 1.680
High resolution limit [Å] 1.650 5.641 1.660
R(merge) 0.0980 - 0.9120
Completeness [%] 100.0 99.1 100.0
Multiplicity 18.3 21.6 12.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
200.000-5.641 - 99.1 21.6
5.640-4.481 - 99.7 23.0
4.480-3.911 - 99.7 23.8
3.910-3.550 0.0640 100.0 28.8
3.550-3.300 0.0750 100.0 31.4
3.300-3.110 0.0790 100.0 31.6
3.110-2.950 0.0950 100.0 27.1
2.950-2.820 0.1020 100.0 18.5
2.820-2.710 0.1160 100.0 18.6
2.710-2.620 0.1220 100.0 18.8
2.620-2.540 0.0820 100.0 18.8
2.540-2.460 0.0900 100.0 18.7
2.460-2.400 0.0940 100.0 18.7
2.400-2.340 0.0990 100.0 18.8
2.340-2.290 0.1060 100.0 18.9
2.290-2.240 0.1140 100.0 18.9
2.240-2.190 0.1240 100.0 19.0
2.190-2.150 0.1310 100.0 19.0
2.150-2.110 0.1400 100.0 18.9
2.110-2.080 0.1530 100.0 18.9
2.080-2.050 0.1660 100.0 18.9
2.050-2.010 0.1870 100.0 18.9
2.010-1.980 0.2040 100.0 17.8
1.980-1.960 0.2270 100.0 16.6
1.960-1.930 0.2570 100.0 16.6
1.930-1.900 0.2750 100.0 16.5
1.900-1.880 0.2990 100.0 16.5
1.880-1.860 0.3290 100.0 16.4
1.860-1.840 0.3570 100.0 16.4
1.840-1.820 0.4230 100.0 16.3
1.820-1.800 0.4640 100.0 15.8
1.800-1.780 0.5180 100.0 12.6
1.780-1.760 0.5790 100.0 12.6
1.760-1.740 0.6210 100.0 12.5
1.740-1.730 0.5980 100.0 12.4
1.730-1.710 0.6710 100.0 12.4
1.710-1.690 0.7530 100.0 12.3
1.690-1.680 0.8460 100.0 12.2
1.680-1.660 0.9120 100.0 12.2
1.660-1.650 0.9980 100.0 12.1