Data quality metrics extracted from 5skk.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": "dfaeea100b465e1973b637253804038b",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.136,
    "b": 135.136,
    "c": 235.033,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.62,2.150],
    "number_observations": 445654,
    "number_observations_unique": 85158,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.094
      },
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 9.140
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 4.750
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.210,2.150],
      "number_observations": 33902,
      "number_observations_unique": 6474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.414
        },
        {
          "type": "R(meas)",
          "value": 1.573
        },
        {
          "type": "I/SigI",
          "value": 1.130
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.237
        },
        {
          "type": "CC(1/2)",
          "value": 0.428
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.210],
      "number_observations": 30830,
      "number_observations_unique": 6213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.623
        },
        {
          "type": "R(meas)",
          "value": 1.819
        },
        {
          "type": "I/SigI",
          "value": 1.140
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 4.962
        },
        {
          "type": "CC(1/2)",
          "value": 0.525
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.270],
      "number_observations": 30106,
      "number_observations_unique": 6107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.093
        },
        {
          "type": "R(meas)",
          "value": 1.225
        },
        {
          "type": "I/SigI",
          "value": 1.490
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.930
        },
        {
          "type": "CC(1/2)",
          "value": 0.584
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.330],
      "number_observations": 29259,
      "number_observations_unique": 5904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.968
        },
        {
          "type": "R(meas)",
          "value": 1.085
        },
        {
          "type": "I/SigI",
          "value": 1.780
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.956
        },
        {
          "type": "CC(1/2)",
          "value": 0.655
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.400],
      "number_observations": 30697,
      "number_observations_unique": 5697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.699
        },
        {
          "type": "R(meas)",
          "value": 0.775
        },
        {
          "type": "I/SigI",
          "value": 2.360
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.388
        },
        {
          "type": "CC(1/2)",
          "value": 0.774
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.480],
      "number_observations": 29525,
      "number_observations_unique": 5578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.569
        },
        {
          "type": "R(meas)",
          "value": 0.632
        },
        {
          "type": "I/SigI",
          "value": 3.050
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.293
        },
        {
          "type": "CC(1/2)",
          "value": 0.829
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.570],
      "number_observations": 27997,
      "number_observations_unique": 5325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.458
        },
        {
          "type": "I/SigI",
          "value": 3.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.670],
      "number_observations": 26660,
      "number_observations_unique": 5191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 4.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.136
        },
        {
          "type": "CC(1/2)",
          "value": 0.920
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.780],
      "number_observations": 24524,
      "number_observations_unique": 4934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 5.840
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.970
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.900],
      "number_observations": 24727,
      "number_observations_unique": 4714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 7.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.245
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.040],
      "number_observations": 24182,
      "number_observations_unique": 4508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 10.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.364
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.210],
      "number_observations": 22584,
      "number_observations_unique": 4247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 14.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.630,3.400],
      "number_observations": 19735,
      "number_observations_unique": 3990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 18.950
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.946
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.930,3.630],
      "number_observations": 16883,
      "number_observations_unique": 3726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 22.450
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.531
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.930],
      "number_observations": 18260,
      "number_observations_unique": 3411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 29.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.353
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.810,4.300],
      "number_observations": 16290,
      "number_observations_unique": 3125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 33.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.213
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.550,4.810],
      "number_observations": 13331,
      "number_observations_unique": 2705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 32.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.928
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.800,5.550],
      "number_observations": 12060,
      "number_observations_unique": 2307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 33.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.228
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [9.620,6.800],
      "number_observations": 9276,
      "number_observations_unique": 1787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 42.620
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.191
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.620,9.620],
      "number_observations": 4826,
      "number_observations_unique": 960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 48.500
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 5.027
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.620 43.620 2.270
High resolution limit [Å] 2.150 9.620 2.210
R(merge) 0.0940 0.0240 1.6230
R(meas) 0.1160 0.0270 1.8190
CC(1/2) 0.998 0.999 0.525
Completeness [%] 97.8 99.1 99.0
Multiplicity 4.8 5.0 5.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.620-9.620 0.0240 0.0270 0.999 99.1 5.0
9.620-6.800 0.0280 0.0310 0.999 99.8 5.2
6.800-5.550 0.0390 0.0430 0.998 100.0 5.2
5.550-4.810 0.0390 0.0440 0.998 100.0 4.9
4.810-4.300 0.0400 0.0450 0.998 100.0 5.2
4.300-3.930 0.0470 0.0520 0.998 100.0 5.4
3.930-3.630 0.0660 0.0740 0.996 99.5 4.5
3.630-3.400 0.0800 0.0900 0.995 99.8 4.9
3.400-3.210 0.1040 0.1160 0.993 100.0 5.3
3.210-3.040 0.1440 0.1590 0.987 99.9 5.4
3.040-2.900 0.1980 0.2200 0.973 99.9 5.2
2.900-2.780 0.2660 0.2980 0.956 99.8 5.0
2.780-2.670 0.3380 0.3770 0.920 100.0 5.1
2.670-2.570 0.4120 0.4580 0.902 100.0 5.3
2.570-2.480 0.5690 0.6320 0.829 99.9 5.3
2.480-2.400 0.6990 0.7750 0.774 99.8 5.4
2.400-2.330 0.9680 1.0850 0.655 99.5 5.0
2.330-2.270 1.0930 1.2250 0.584 99.9 4.9
2.270-2.210 1.6230 1.8190 0.525 99.0 5.0
2.210-2.150 1.4140 1.5730 0.428 99.9 5.2