Data quality metrics extracted from 5shg.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": "de9d5863779f4e07b9269dde37831548",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 134.850,
    "b": 134.850,
    "c": 235.961,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.75,2.120],
    "number_observations": 518421,
    "number_observations_unique": 89202,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 13.750
      },
      {
        "type": "Completeness",
        "value": 98.300
      },
      {
        "type": "Redundancy",
        "value": 5.812
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.180,2.120],
      "number_observations": 39214,
      "number_observations_unique": 6665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.241
        },
        {
          "type": "R(meas)",
          "value": 1.361
        },
        {
          "type": "I/SigI",
          "value": 1.370
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 5.884
        },
        {
          "type": "CC(1/2)",
          "value": 0.556
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.180],
      "number_observations": 35497,
      "number_observations_unique": 6334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.164
        },
        {
          "type": "R(meas)",
          "value": 1.285
        },
        {
          "type": "I/SigI",
          "value": 1.550
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 5.604
        },
        {
          "type": "CC(1/2)",
          "value": 0.610
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.230],
      "number_observations": 33499,
      "number_observations_unique": 6222,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.139
        },
        {
          "type": "R(meas)",
          "value": 1.264
        },
        {
          "type": "I/SigI",
          "value": 1.960
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 5.384
        },
        {
          "type": "CC(1/2)",
          "value": 0.581
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.300],
      "number_observations": 37159,
      "number_observations_unique": 6118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.696
        },
        {
          "type": "I/SigI",
          "value": 2.870
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.074
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.370],
      "number_observations": 35687,
      "number_observations_unique": 5890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.479
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 3.560
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.059
        },
        {
          "type": "CC(1/2)",
          "value": 0.895
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.450],
      "number_observations": 33984,
      "number_observations_unique": 5698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.390
        },
        {
          "type": "R(meas)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 4.330
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 5.964
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.530],
      "number_observations": 32211,
      "number_observations_unique": 5483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 5.700
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 5.875
        },
        {
          "type": "CC(1/2)",
          "value": 0.946
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.630],
      "number_observations": 29134,
      "number_observations_unique": 5280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.241
        },
        {
          "type": "R(meas)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 7.020
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.518
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.740],
      "number_observations": 29928,
      "number_observations_unique": 5127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 8.770
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 5.837
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.860],
      "number_observations": 29511,
      "number_observations_unique": 4857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.590
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 6.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.000],
      "number_observations": 27767,
      "number_observations_unique": 4613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 14.940
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 6.019
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.160],
      "number_observations": 25786,
      "number_observations_unique": 4358,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 19.700
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 5.917
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.350],
      "number_observations": 22024,
      "number_observations_unique": 4039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 24.770
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 5.453
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.580],
      "number_observations": 21705,
      "number_observations_unique": 3765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 30.390
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 5.765
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.240,3.870],
      "number_observations": 20754,
      "number_observations_unique": 3499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 36.300
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 5.931
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.240],
      "number_observations": 18506,
      "number_observations_unique": 3162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 39.580
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.853
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.470,4.740],
      "number_observations": 15274,
      "number_observations_unique": 2827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 39.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.403
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.700,5.470],
      "number_observations": 14527,
      "number_observations_unique": 2412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 39.620
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.023
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.480,6.700],
      "number_observations": 10520,
      "number_observations_unique": 1846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 45.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.699
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.750,9.480],
      "number_observations": 5734,
      "number_observations_unique": 1007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 50.420
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.694
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.750 43.750 2.230
High resolution limit [Å] 2.120 9.480 2.180
R(merge) 0.0910 0.0280 1.1640
R(meas) 0.1000 0.0310 1.2850
CC(1/2) 0.999 0.999 0.610
Completeness [%] 98.3 98.3 98.0
Multiplicity 5.8 5.7 5.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.750-9.480 0.0280 0.0310 0.999 98.3 5.7
9.480-6.700 0.0290 0.0320 0.999 99.9 5.7
6.700-5.470 0.0360 0.0400 0.999 99.8 6.0
5.470-4.740 0.0360 0.0400 0.998 99.6 5.4
4.740-4.240 0.0370 0.0410 0.999 98.3 5.9
4.240-3.870 0.0410 0.0450 0.998 97.9 5.9
3.870-3.580 0.0500 0.0550 0.998 97.1 5.8
3.580-3.350 0.0590 0.0650 0.997 97.2 5.5
3.350-3.160 0.0780 0.0850 0.996 97.9 5.9
3.160-3.000 0.1050 0.1150 0.994 98.1 6.0
3.000-2.860 0.1360 0.1490 0.990 98.6 7.1
2.860-2.740 0.1810 0.1990 0.980 98.6 5.8
2.740-2.630 0.2410 0.2660 0.958 98.3 5.5
2.630-2.530 0.2910 0.3200 0.946 98.5 5.9
2.530-2.450 0.3900 0.4270 0.919 98.5 6.0
2.450-2.370 0.4790 0.5240 0.895 98.5 7.1
2.370-2.300 0.6360 0.6960 0.819 98.4 7.1
2.300-2.230 1.1390 1.2640 0.581 97.5 5.4
2.230-2.180 1.1640 1.2850 0.610 98.0 5.6
2.180-2.120 1.2410 1.3610 0.556 98.1 5.9