Data quality metrics extracted from 5siq.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": "13a9c2e0651a8612e724676fc8cec939",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 136.14,
    "b": 136.14,
    "c": 235.33,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.52,1.970],
    "number_observations": 323193,
    "number_observations_unique": 113783,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 13.850
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 2.840
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.970],
      "number_observations": 20659,
      "number_observations_unique": 8120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.719
        },
        {
          "type": "R(meas)",
          "value": 0.904
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 2.544
        },
        {
          "type": "CC(1/2)",
          "value": 0.571
        }
      ]
    },
    {
      "resolution_limits": [2.080,2.020],
      "number_observations": 23314,
      "number_observations_unique": 8196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.517
        },
        {
          "type": "R(meas)",
          "value": 0.643
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.845
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.080],
      "number_observations": 23063,
      "number_observations_unique": 8073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "R(meas)",
          "value": 0.545
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.857
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.140],
      "number_observations": 22192,
      "number_observations_unique": 7757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.298
        },
        {
          "type": "R(meas)",
          "value": 0.370
        },
        {
          "type": "I/SigI",
          "value": 3.560
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 2.861
        },
        {
          "type": "CC(1/2)",
          "value": 0.877
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.200],
      "number_observations": 21669,
      "number_observations_unique": 7572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "R(meas)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 4.060
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 2.862
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.280],
      "number_observations": 20936,
      "number_observations_unique": 7300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "R(meas)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 5.310
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.868
        },
        {
          "type": "CC(1/2)",
          "value": 0.946
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.360],
      "number_observations": 20268,
      "number_observations_unique": 7061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 6.500
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 2.870
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.450],
      "number_observations": 19427,
      "number_observations_unique": 6765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 7.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.872
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.550],
      "number_observations": 18675,
      "number_observations_unique": 6518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 10.370
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 2.865
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.660],
      "number_observations": 17756,
      "number_observations_unique": 6188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 12.520
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 2.869
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.790],
      "number_observations": 16816,
      "number_observations_unique": 5884,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 15.150
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 2.858
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.120,2.940],
      "number_observations": 15910,
      "number_observations_unique": 5555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 18.720
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 2.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.120],
      "number_observations": 15049,
      "number_observations_unique": 5280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 23.720
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 2.850
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.330],
      "number_observations": 13829,
      "number_observations_unique": 4873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 29.650
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 2.838
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.600],
      "number_observations": 12712,
      "number_observations_unique": 4471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 34.050
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 2.843
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.410,3.940],
      "number_observations": 11577,
      "number_observations_unique": 4033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 37.880
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 2.871
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.090,4.410],
      "number_observations": 10263,
      "number_observations_unique": 3558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 40.390
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 2.884
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.240,5.090],
      "number_observations": 8885,
      "number_observations_unique": 3042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 39.970
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 2.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [8.820,6.240],
      "number_observations": 6846,
      "number_observations_unique": 2344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "R(meas)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 42.930
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 2.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [35.550,8.820],
      "number_observations": 3347,
      "number_observations_unique": 1193,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.013
        },
        {
          "type": "R(meas)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 46.310
        },
        {
          "type": "Completeness",
          "value": 92.700
        },
        {
          "type": "Redundancy",
          "value": 2.806
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 35.520 35.550 2.080
High resolution limit [Å] 1.970 8.820 2.020
R(merge) 0.0480 0.0130 0.5170
R(meas) 0.0600 0.0160 0.6430
CC(1/2) 0.999 1.000 0.696
Completeness [%] 99.2 92.7 99.8
Multiplicity 2.8 2.8 2.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
35.550-8.820 0.0130 0.0160 1.000 92.7 2.8
8.820-6.240 0.0150 0.0190 0.999 99.7 2.9
6.240-5.090 0.0190 0.0240 0.999 99.8 2.9
5.090-4.410 0.0220 0.0270 0.999 99.4 2.9
4.410-3.940 0.0230 0.0290 0.999 99.0 2.9
3.940-3.600 0.0260 0.0330 0.998 99.2 2.8
3.600-3.330 0.0310 0.0380 0.998 99.3 2.8
3.330-3.120 0.0400 0.0500 0.997 99.5 2.9
3.120-2.940 0.0520 0.0650 0.995 99.6 2.9
2.940-2.790 0.0660 0.0810 0.993 99.6 2.9
2.790-2.660 0.0830 0.1030 0.988 99.6 2.9
2.660-2.550 0.1010 0.1250 0.983 99.6 2.9
2.550-2.450 0.1340 0.1660 0.972 99.8 2.9
2.450-2.360 0.1610 0.2000 0.964 99.6 2.9
2.360-2.280 0.1980 0.2460 0.946 99.8 2.9
2.280-2.200 0.2590 0.3220 0.913 99.7 2.9
2.200-2.140 0.2980 0.3700 0.877 99.7 2.9
2.140-2.080 0.4380 0.5450 0.783 99.8 2.9
2.080-2.020 0.5170 0.6430 0.696 99.8 2.8
2.020-1.970 0.7190 0.9040 0.571 95.7 2.5