Data quality metrics extracted from 7g52.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": "59ee60f171ac45ae0eb4f9e14f682bab",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.982,
    "b": 91.885,
    "c": 119.819,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.94,1.710],
    "number_observations": 666999,
    "number_observations_unique": 100659,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 12.110
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.626
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.750,1.710],
      "number_observations": 49675,
      "number_observations_unique": 7368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.452
        },
        {
          "type": "R(meas)",
          "value": 1.574
        },
        {
          "type": "I/SigI",
          "value": 1.370
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.742
        },
        {
          "type": "CC(1/2)",
          "value": 0.495
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.750],
      "number_observations": 47592,
      "number_observations_unique": 7172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.107
        },
        {
          "type": "R(meas)",
          "value": 1.202
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.636
        },
        {
          "type": "CC(1/2)",
          "value": 0.654
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.800],
      "number_observations": 43948,
      "number_observations_unique": 6971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.870
        },
        {
          "type": "R(meas)",
          "value": 0.949
        },
        {
          "type": "I/SigI",
          "value": 2.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.304
        },
        {
          "type": "CC(1/2)",
          "value": 0.729
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.850],
      "number_observations": 45075,
      "number_observations_unique": 6823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.800
        },
        {
          "type": "R(meas)",
          "value": 0.869
        },
        {
          "type": "I/SigI",
          "value": 2.560
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.606
        },
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.910],
      "number_observations": 44835,
      "number_observations_unique": 6559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.573
        },
        {
          "type": "R(meas)",
          "value": 0.620
        },
        {
          "type": "I/SigI",
          "value": 3.740
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.836
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.970],
      "number_observations": 43507,
      "number_observations_unique": 6383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.402
        },
        {
          "type": "R(meas)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 5.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.816
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.040],
      "number_observations": 40990,
      "number_observations_unique": 6129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 6.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.688
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.120],
      "number_observations": 37990,
      "number_observations_unique": 5951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "R(meas)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 7.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.384
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.210],
      "number_observations": 36864,
      "number_observations_unique": 5712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "R(meas)",
          "value": 0.259
        },
        {
          "type": "I/SigI",
          "value": 8.050
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.454
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.310],
      "number_observations": 37519,
      "number_observations_unique": 5419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.169
        },
        {
          "type": "I/SigI",
          "value": 11.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.924
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.420],
      "number_observations": 35868,
      "number_observations_unique": 5221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 13.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.870
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.550],
      "number_observations": 33392,
      "number_observations_unique": 4937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 16.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.764
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.700],
      "number_observations": 29404,
      "number_observations_unique": 4616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 19.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.370
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.120,2.890],
      "number_observations": 29150,
      "number_observations_unique": 4329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 23.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.734
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.420,3.120],
      "number_observations": 27561,
      "number_observations_unique": 4002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 28.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.887
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.820,3.420],
      "number_observations": 24156,
      "number_observations_unique": 3641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 31.290
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.634
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.420,3.820],
      "number_observations": 19573,
      "number_observations_unique": 3229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 33.750
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.410,4.420],
      "number_observations": 18594,
      "number_observations_unique": 2757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 37.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.744
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.650,5.410],
      "number_observations": 13661,
      "number_observations_unique": 2174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 34.780
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.284
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [45.940,7.650],
      "number_observations": 7645,
      "number_observations_unique": 1266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 38.870
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.039
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.940 45.940 1.800
High resolution limit [Å] 1.710 7.650 1.750
R(merge) 0.0930 0.0340 1.1070
R(meas) 0.1010 0.0380 1.2020
CC(1/2) 0.999 0.999 0.654
Completeness [%] 99.9 99.1 100.0
Multiplicity 6.6 6.0 6.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
45.940-7.650 0.0340 0.0380 0.999 99.1 6.0
7.650-5.410 0.0410 0.0450 0.998 99.9 6.3
5.410-4.420 0.0400 0.0430 0.998 100.0 6.7
4.420-3.820 0.0420 0.0460 0.998 99.9 7.1
3.820-3.420 0.0500 0.0540 0.998 99.9 6.6
3.420-3.120 0.0540 0.0590 0.998 100.0 6.9
3.120-2.890 0.0660 0.0720 0.997 100.0 6.7
2.890-2.700 0.0790 0.0860 0.996 100.0 6.4
2.700-2.550 0.1010 0.1090 0.994 100.0 6.8
2.550-2.420 0.1250 0.1350 0.992 100.0 6.9
2.420-2.310 0.1560 0.1690 0.987 100.0 6.9
2.310-2.210 0.2380 0.2590 0.969 99.7 6.5
2.210-2.120 0.2450 0.2670 0.973 100.0 6.4
2.120-2.040 0.3110 0.3380 0.958 100.0 6.7
2.040-1.970 0.4020 0.4360 0.938 100.0 6.8
1.970-1.910 0.5730 0.6200 0.870 99.9 6.8
1.910-1.850 0.8000 0.8690 0.799 100.0 6.6
1.850-1.800 0.8700 0.9490 0.729 100.0 6.3
1.800-1.750 1.1070 1.2020 0.654 100.0 6.6
1.750-1.710 1.4520 1.5740 0.495 100.0 6.7