Data quality metrics extracted from 5sfm.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": "507239b132d02b3544b567f522aeecfe",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.229,
    "b": 135.229,
    "c": 234.991,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.620,2.160],
    "number_observations": 449133,
    "number_observations_unique": 85901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 14.530
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 5.228
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.220,2.160],
      "number_observations": 33742,
      "number_observations_unique": 6391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.441
        },
        {
          "type": "R(meas)",
          "value": 1.600
        },
        {
          "type": "I/SigI",
          "value": 1.130
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.280
        },
        {
          "type": "CC(1/2)",
          "value": 0.406
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.220],
      "number_observations": 31928,
      "number_observations_unique": 6180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.324
        },
        {
          "type": "R(meas)",
          "value": 1.475
        },
        {
          "type": "I/SigI",
          "value": 1.250
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.166
        },
        {
          "type": "CC(1/2)",
          "value": 0.497
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.280],
      "number_observations": 29878,
      "number_observations_unique": 6001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.042
        },
        {
          "type": "R(meas)",
          "value": 1.166
        },
        {
          "type": "I/SigI",
          "value": 1.540
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.979
        },
        {
          "type": "CC(1/2)",
          "value": 0.599
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.340],
      "number_observations": 30069,
      "number_observations_unique": 5847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.816
        },
        {
          "type": "R(meas)",
          "value": 0.910
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.143
        },
        {
          "type": "CC(1/2)",
          "value": 0.717
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.420],
      "number_observations": 30834,
      "number_observations_unique": 5694,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.639
        },
        {
          "type": "R(meas)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 2.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.415
        },
        {
          "type": "CC(1/2)",
          "value": 0.801
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.490],
      "number_observations": 29391,
      "number_observations_unique": 5473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "R(meas)",
          "value": 0.546
        },
        {
          "type": "I/SigI",
          "value": 3.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.370
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.580],
      "number_observations": 28031,
      "number_observations_unique": 5295,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "R(meas)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 4.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.294
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.680],
      "number_observations": 26329,
      "number_observations_unique": 5089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.320
        },
        {
          "type": "R(meas)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 5.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.174
        },
        {
          "type": "CC(1/2)",
          "value": 0.934
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.790],
      "number_observations": 24817,
      "number_observations_unique": 4918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "R(meas)",
          "value": 0.263
        },
        {
          "type": "I/SigI",
          "value": 6.640
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.046
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.910],
      "number_observations": 24713,
      "number_observations_unique": 4634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 8.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.333
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.050],
      "number_observations": 24030,
      "number_observations_unique": 4444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 12.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.407
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.420,3.220],
      "number_observations": 22324,
      "number_observations_unique": 4177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 17.420
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.345
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.420],
      "number_observations": 20251,
      "number_observations_unique": 3981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 24.060
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.087
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.650],
      "number_observations": 18631,
      "number_observations_unique": 3684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 32.120
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.320,3.940],
      "number_observations": 18334,
      "number_observations_unique": 3346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 42.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.479
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.830,4.320],
      "number_observations": 16383,
      "number_observations_unique": 3074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 48.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.330
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.580,4.830],
      "number_observations": 13321,
      "number_observations_unique": 2687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 46.980
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.958
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.830,5.580],
      "number_observations": 12022,
      "number_observations_unique": 2268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 47.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.301
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.660,6.830],
      "number_observations": 9234,
      "number_observations_unique": 1768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 65.740
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.223
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [43.620,9.660],
      "number_observations": 4871,
      "number_observations_unique": 950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "R(meas)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 78.050
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 5.127
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.620 43.620 2.280
High resolution limit [Å] 2.160 9.660 2.220
R(merge) 0.0850 0.0150 1.3240
R(meas) 0.0950 0.0160 1.4750
CC(1/2) 0.999 1.000 0.497
Completeness [%] 99.9 98.9 99.9
Multiplicity 5.2 5.1 5.2


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.620-9.660 0.0150 0.0160 1.000 98.9 5.1
9.660-6.830 0.0180 0.0200 1.000 99.8 5.2
6.830-5.580 0.0280 0.0310 0.999 100.0 5.3
5.580-4.830 0.0290 0.0320 0.999 99.9 5.0
4.830-4.320 0.0280 0.0310 0.999 100.0 5.3
4.320-3.940 0.0340 0.0370 0.999 100.0 5.5
3.940-3.650 0.0450 0.0510 0.998 99.9 6.1
3.650-3.420 0.0620 0.0690 0.997 99.9 6.1
3.420-3.220 0.0880 0.0980 0.995 100.0 5.3
3.220-3.050 0.1290 0.1420 0.990 100.0 5.4
3.050-2.910 0.1790 0.1990 0.980 100.0 5.3
2.910-2.790 0.2350 0.2630 0.966 99.8 5.0
2.790-2.680 0.3200 0.3570 0.934 100.0 5.2
2.680-2.580 0.3870 0.4290 0.912 100.0 5.3
2.580-2.490 0.4920 0.5460 0.872 100.0 5.4
2.490-2.420 0.6390 0.7080 0.801 100.0 5.4
2.420-2.340 0.8160 0.9100 0.717 99.9 5.1
2.340-2.280 1.0420 1.1660 0.599 99.9 5.0
2.280-2.220 1.3240 1.4750 0.497 99.9 5.2
2.220-2.160 1.4410 1.6000 0.406 99.9 5.3