Data quality metrics extracted from 5sk7.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": "5aafeab52eebc42f91a93c11ede09378",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.000,
    "b": 135.000,
    "c": 234.995,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.43,2.290],
    "number_observations": 374265,
    "number_observations_unique": 71844,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 11.570
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 5.209
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.350,2.290],
      "number_observations": 27425,
      "number_observations_unique": 5325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.362
        },
        {
          "type": "R(meas)",
          "value": 1.518
        },
        {
          "type": "I/SigI",
          "value": 1.290
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.150
        },
        {
          "type": "CC(1/2)",
          "value": 0.477
        }
      ]
    },
    {
      "resolution_limits": [2.410,2.350],
      "number_observations": 25801,
      "number_observations_unique": 5162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.114
        },
        {
          "type": "R(meas)",
          "value": 1.245
        },
        {
          "type": "I/SigI",
          "value": 1.530
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.998
        },
        {
          "type": "CC(1/2)",
          "value": 0.585
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.410],
      "number_observations": 25275,
      "number_observations_unique": 5042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.983
        },
        {
          "type": "R(meas)",
          "value": 1.099
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.013
        },
        {
          "type": "CC(1/2)",
          "value": 0.634
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.480],
      "number_observations": 25939,
      "number_observations_unique": 4916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.735
        },
        {
          "type": "R(meas)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 2.410
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.276
        },
        {
          "type": "CC(1/2)",
          "value": 0.747
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.560],
      "number_observations": 25588,
      "number_observations_unique": 4743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.567
        },
        {
          "type": "R(meas)",
          "value": 0.628
        },
        {
          "type": "I/SigI",
          "value": 3.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.395
        },
        {
          "type": "CC(1/2)",
          "value": 0.820
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.640],
      "number_observations": 24384,
      "number_observations_unique": 4560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 3.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.347
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.740],
      "number_observations": 23411,
      "number_observations_unique": 4438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 4.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.275
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.840],
      "number_observations": 21504,
      "number_observations_unique": 4260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        },
        {
          "type": "R(meas)",
          "value": 0.328
        },
        {
          "type": "I/SigI",
          "value": 5.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.960],
      "number_observations": 20737,
      "number_observations_unique": 4071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "I/SigI",
          "value": 7.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.094
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.090],
      "number_observations": 21442,
      "number_observations_unique": 3934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.187
        },
        {
          "type": "I/SigI",
          "value": 9.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.450
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.240],
      "number_observations": 19857,
      "number_observations_unique": 3677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 13.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.410],
      "number_observations": 18808,
      "number_observations_unique": 3533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 17.460
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.324
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.620],
      "number_observations": 16474,
      "number_observations_unique": 3306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 20.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.983
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.180,3.870],
      "number_observations": 15776,
      "number_observations_unique": 3072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 25.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.135
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.580,4.180],
      "number_observations": 15365,
      "number_observations_unique": 2838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 29.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.414
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.120,4.580],
      "number_observations": 13567,
      "number_observations_unique": 2551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 32.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.910,5.120],
      "number_observations": 11036,
      "number_observations_unique": 2230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 29.870
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.949
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.240,5.910],
      "number_observations": 10189,
      "number_observations_unique": 1911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 33.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.332
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [10.240,7.240],
      "number_observations": 7603,
      "number_observations_unique": 1477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 41.080
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.148
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.430,10.240],
      "number_observations": 4084,
      "number_observations_unique": 798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 44.520
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 5.118
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.430 43.430 2.410
High resolution limit [Å] 2.290 10.240 2.350
R(merge) 0.0960 0.0270 1.1140
R(meas) 0.1070 0.0300 1.2450
CC(1/2) 0.998 0.999 0.585
Completeness [%] 99.9 98.9 99.9
Multiplicity 5.2 5.1 5.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.430-10.240 0.0270 0.0300 0.999 98.9 5.1
10.240-7.240 0.0300 0.0330 0.999 99.7 5.1
7.240-5.910 0.0400 0.0450 0.998 100.0 5.3
5.910-5.120 0.0440 0.0490 0.998 99.9 4.9
5.120-4.580 0.0430 0.0480 0.998 99.9 5.3
4.580-4.180 0.0470 0.0520 0.998 99.9 5.4
4.180-3.870 0.0560 0.0620 0.997 100.0 5.1
3.870-3.620 0.0700 0.0780 0.995 100.0 5.0
3.620-3.410 0.0860 0.0960 0.994 99.8 5.3
3.410-3.240 0.1170 0.1290 0.991 100.0 5.4
3.240-3.090 0.1690 0.1870 0.982 100.0 5.5
3.090-2.960 0.2250 0.2510 0.967 100.0 6.1
2.960-2.840 0.2940 0.3280 0.948 99.9 5.0
2.840-2.740 0.3790 0.4210 0.915 100.0 5.3
2.740-2.640 0.4670 0.5180 0.875 100.0 5.3
2.640-2.560 0.5670 0.6280 0.820 100.0 5.4
2.560-2.480 0.7350 0.8160 0.747 100.0 5.3
2.480-2.410 0.9830 1.0990 0.634 99.9 5.0
2.410-2.350 1.1140 1.2450 0.585 99.9 5.0
2.350-2.290 1.3620 1.5180 0.477 99.8 5.2