Data quality metrics extracted from 5s5c.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": "92982dad89ace8fcb9cec4cf3113fb4a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.22,
    "b": 159.90,
    "c": 177.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.930,2.400],
    "number_observations": 797912,
    "number_observations_unique": 117490,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "R(meas)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 10.220
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.791
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.460,2.400],
      "number_observations": 60144,
      "number_observations_unique": 8604,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.277
        },
        {
          "type": "R(meas)",
          "value": 2.460
        },
        {
          "type": "I/SigI",
          "value": 0.820
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.990
        },
        {
          "type": "CC(1/2)",
          "value": 0.383
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.460],
      "number_observations": 57479,
      "number_observations_unique": 8334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.898
        },
        {
          "type": "R(meas)",
          "value": 2.052
        },
        {
          "type": "I/SigI",
          "value": 0.980
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.897
        },
        {
          "type": "CC(1/2)",
          "value": 0.468
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.530],
      "number_observations": 55058,
      "number_observations_unique": 8135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.462
        },
        {
          "type": "R(meas)",
          "value": 1.584
        },
        {
          "type": "I/SigI",
          "value": 1.290
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.768
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.600],
      "number_observations": 51173,
      "number_observations_unique": 7943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.219
        },
        {
          "type": "R(meas)",
          "value": 1.327
        },
        {
          "type": "I/SigI",
          "value": 1.540
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.443
        },
        {
          "type": "CC(1/2)",
          "value": 0.643
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.680],
      "number_observations": 51143,
      "number_observations_unique": 7711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.962
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.632
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.770],
      "number_observations": 52661,
      "number_observations_unique": 7443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.713
        },
        {
          "type": "R(meas)",
          "value": 0.770
        },
        {
          "type": "I/SigI",
          "value": 2.810
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.850
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.870],
      "number_observations": 50527,
      "number_observations_unique": 7168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.551
        },
        {
          "type": "R(meas)",
          "value": 0.595
        },
        {
          "type": "I/SigI",
          "value": 3.570
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.980],
      "number_observations": 48692,
      "number_observations_unique": 6956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "R(meas)",
          "value": 0.420
        },
        {
          "type": "I/SigI",
          "value": 4.940
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.100],
      "number_observations": 46089,
      "number_observations_unique": 6631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "R(meas)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 6.540
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.951
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.240],
      "number_observations": 42999,
      "number_observations_unique": 6402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "R(meas)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 8.490
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.716
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.390],
      "number_observations": 39201,
      "number_observations_unique": 6059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 11.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.470
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.790,3.580],
      "number_observations": 39071,
      "number_observations_unique": 5734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 13.740
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.814
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.790],
      "number_observations": 38271,
      "number_observations_unique": 5434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 18.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.380,4.060],
      "number_observations": 34922,
      "number_observations_unique": 5044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 22.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.923
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.800,4.380],
      "number_observations": 31398,
      "number_observations_unique": 4678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 26.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.712
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.370,4.800],
      "number_observations": 26453,
      "number_observations_unique": 4238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 25.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.242
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.200,5.370],
      "number_observations": 25795,
      "number_observations_unique": 3781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 26.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.822
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.590,6.200],
      "number_observations": 21921,
      "number_observations_unique": 3209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 30.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.831
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [10.730,7.590],
      "number_observations": 15611,
      "number_observations_unique": 2526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 41.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.180
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [67.930,10.730],
      "number_observations": 9304,
      "number_observations_unique": 1460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 51.450
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.373
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 67.930 67.930 2.530
High resolution limit [Å] 2.400 10.730 2.460
R(merge) 0.1160 0.0270 1.8980
R(meas) 0.1260 0.0290 2.0520
CC(1/2) 0.999 0.999 0.468
Completeness [%] 99.8 99.1 99.7
Multiplicity 6.8 6.4 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
67.930-10.730 0.0270 0.0290 0.999 99.1 6.4
10.730-7.590 0.0320 0.0350 0.999 99.8 6.2
7.590-6.200 0.0480 0.0520 0.998 100.0 6.8
6.200-5.370 0.0590 0.0630 0.998 100.0 6.8
5.370-4.800 0.0550 0.0600 0.998 100.0 6.2
4.800-4.380 0.0560 0.0610 0.998 100.0 6.7
4.380-4.060 0.0710 0.0770 0.997 100.0 6.9
4.060-3.790 0.0900 0.0970 0.996 99.9 7.0
3.790-3.580 0.1240 0.1340 0.993 99.9 6.8
3.580-3.390 0.1520 0.1660 0.990 99.9 6.5
3.390-3.240 0.2090 0.2270 0.982 99.9 6.7
3.240-3.100 0.2870 0.3110 0.968 99.9 7.0
3.100-2.980 0.3880 0.4200 0.947 99.9 7.0
2.980-2.870 0.5510 0.5950 0.903 99.8 7.0
2.870-2.770 0.7130 0.7700 0.850 99.8 8.1
2.770-2.680 0.9620 1.0440 0.745 99.8 6.6
2.680-2.600 1.2190 1.3270 0.643 99.8 6.4
2.600-2.530 1.4620 1.5840 0.621 99.7 6.8
2.530-2.460 1.8980 2.0520 0.468 99.7 6.9
2.460-2.400 2.2770 2.4600 0.383 99.8 7.0