Data quality metrics extracted from 5sf5.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": "3920587b938cffc4a3018f4fcd9c4e7a",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.992,
    "b": 135.992,
    "c": 236.077,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.820,1.980],
    "number_observations": 587630,
    "number_observations_unique": 113322,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 14.140
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 5.185
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.030,1.980],
      "number_observations": 43449,
      "number_observations_unique": 8384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.414
        },
        {
          "type": "R(meas)",
          "value": 1.575
        },
        {
          "type": "I/SigI",
          "value": 1.160
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.449
        }
      ]
    },
    {
      "resolution_limits": [2.090,2.030],
      "number_observations": 40633,
      "number_observations_unique": 8183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.079
        },
        {
          "type": "R(meas)",
          "value": 1.208
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.966
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.090],
      "number_observations": 39975,
      "number_observations_unique": 7928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.838
        },
        {
          "type": "R(meas)",
          "value": 0.936
        },
        {
          "type": "I/SigI",
          "value": 1.920
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.692
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.150],
      "number_observations": 41482,
      "number_observations_unique": 7712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.556
        },
        {
          "type": "R(meas)",
          "value": 0.616
        },
        {
          "type": "I/SigI",
          "value": 2.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.379
        },
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.210],
      "number_observations": 40267,
      "number_observations_unique": 7512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.461
        },
        {
          "type": "R(meas)",
          "value": 0.511
        },
        {
          "type": "I/SigI",
          "value": 3.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.360
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.290],
      "number_observations": 38305,
      "number_observations_unique": 7247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.344
        },
        {
          "type": "R(meas)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 4.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.286
        },
        {
          "type": "CC(1/2)",
          "value": 0.930
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.370],
      "number_observations": 36242,
      "number_observations_unique": 6950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.272
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 5.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.215
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.460],
      "number_observations": 33427,
      "number_observations_unique": 6744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "I/SigI",
          "value": 6.780
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.957
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.560],
      "number_observations": 33605,
      "number_observations_unique": 6452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 9.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.208
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.670],
      "number_observations": 33176,
      "number_observations_unique": 6133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.380
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.800],
      "number_observations": 31308,
      "number_observations_unique": 5838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 14.440
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.363
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.950],
      "number_observations": 29383,
      "number_observations_unique": 5568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 18.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.277
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.130],
      "number_observations": 25465,
      "number_observations_unique": 5180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 23.240
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.916
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.620,3.350],
      "number_observations": 25375,
      "number_observations_unique": 4865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 31.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.216
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.960,3.620],
      "number_observations": 23626,
      "number_observations_unique": 4463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 37.570
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.294
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.430,3.960],
      "number_observations": 20462,
      "number_observations_unique": 4024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 41.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.110,4.430],
      "number_observations": 16681,
      "number_observations_unique": 3554,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 43.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.694
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.260,5.110],
      "number_observations": 16189,
      "number_observations_unique": 2997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 45.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.402
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [8.850,6.260],
      "number_observations": 11817,
      "number_observations_unique": 2315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 48.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.820,8.850],
      "number_observations": 6763,
      "number_observations_unique": 1273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 57.190
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 5.313
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.820 43.820 2.090
High resolution limit [Å] 1.980 8.850 2.030
R(merge) 0.0730 0.0190 1.0790
R(meas) 0.0810 0.0210 1.2080
CC(1/2) 0.999 1.000 0.564
Completeness [%] 99.9 99.2 100.0
Multiplicity 5.2 5.3 5.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.820-8.850 0.0190 0.0210 1.000 99.2 5.3
8.850-6.260 0.0240 0.0260 0.999 99.9 5.1
6.260-5.110 0.0290 0.0320 0.999 100.0 5.4
5.110-4.430 0.0300 0.0340 0.999 99.9 4.7
4.430-3.960 0.0330 0.0370 0.999 100.0 6.1
3.960-3.620 0.0390 0.0430 0.998 100.0 5.3
3.620-3.350 0.0470 0.0520 0.998 99.9 5.2
3.350-3.130 0.0630 0.0700 0.997 99.8 4.9
3.130-2.950 0.0810 0.0900 0.995 100.0 5.3
2.950-2.800 0.1030 0.1140 0.993 99.9 5.4
2.800-2.670 0.1340 0.1490 0.987 100.0 5.4
2.670-2.560 0.1670 0.1860 0.980 100.0 5.2
2.560-2.460 0.2240 0.2510 0.965 99.9 5.0
2.460-2.370 0.2720 0.3020 0.953 100.0 5.2
2.370-2.290 0.3440 0.3820 0.930 100.0 5.3
2.290-2.210 0.4610 0.5110 0.883 100.0 5.4
2.210-2.150 0.5560 0.6160 0.835 99.9 5.4
2.150-2.090 0.8380 0.9360 0.692 99.9 5.0
2.090-2.030 1.0790 1.2080 0.564 100.0 5.0
2.030-1.980 1.4140 1.5750 0.449 99.9 5.2