Data quality metrics extracted from 7g46.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": "b766c0b80dede23f455d21f285f4741e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.858,
    "b": 91.156,
    "c": 118.324,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99997],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.58,1.930],
    "number_observations": 448808,
    "number_observations_unique": 68761,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.191
      },
      {
        "type": "R(meas)",
        "value": 0.208
      },
      {
        "type": "I/SigI",
        "value": 8.660
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.527
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.980,1.930],
      "number_observations": 33769,
      "number_observations_unique": 5014,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.274
        },
        {
          "type": "R(meas)",
          "value": 2.463
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.735
        },
        {
          "type": "CC(1/2)",
          "value": 0.398
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.980],
      "number_observations": 32504,
      "number_observations_unique": 4911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.843
        },
        {
          "type": "R(meas)",
          "value": 2.000
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.619
        },
        {
          "type": "CC(1/2)",
          "value": 0.525
        }
      ]
    },
    {
      "resolution_limits": [2.090,2.030],
      "number_observations": 29997,
      "number_observations_unique": 4763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.560
        },
        {
          "type": "R(meas)",
          "value": 1.702
        },
        {
          "type": "I/SigI",
          "value": 1.990
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.298
        },
        {
          "type": "CC(1/2)",
          "value": 0.555
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.090],
      "number_observations": 30007,
      "number_observations_unique": 4633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.270
        },
        {
          "type": "R(meas)",
          "value": 1.382
        },
        {
          "type": "I/SigI",
          "value": 2.510
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.477
        },
        {
          "type": "CC(1/2)",
          "value": 0.641
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.160],
      "number_observations": 30505,
      "number_observations_unique": 4484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.026
        },
        {
          "type": "R(meas)",
          "value": 1.110
        },
        {
          "type": "I/SigI",
          "value": 3.120
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.803
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.230],
      "number_observations": 29175,
      "number_observations_unique": 4353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.854
        },
        {
          "type": "R(meas)",
          "value": 0.925
        },
        {
          "type": "I/SigI",
          "value": 3.640
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.702
        },
        {
          "type": "CC(1/2)",
          "value": 0.825
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 27464,
      "number_observations_unique": 4193,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.672
        },
        {
          "type": "R(meas)",
          "value": 0.730
        },
        {
          "type": "I/SigI",
          "value": 4.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.550
        },
        {
          "type": "CC(1/2)",
          "value": 0.877
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.390],
      "number_observations": 25483,
      "number_observations_unique": 4025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.574
        },
        {
          "type": "R(meas)",
          "value": 0.626
        },
        {
          "type": "I/SigI",
          "value": 4.940
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.331
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.490],
      "number_observations": 24624,
      "number_observations_unique": 3904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.452
        },
        {
          "type": "R(meas)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 6.060
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.307
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.600],
      "number_observations": 25375,
      "number_observations_unique": 3724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "R(meas)",
          "value": 0.396
        },
        {
          "type": "I/SigI",
          "value": 7.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.814
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.880,2.730],
      "number_observations": 24347,
      "number_observations_unique": 3568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 9.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.824
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.880],
      "number_observations": 22527,
      "number_observations_unique": 3357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 11.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.710
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.050],
      "number_observations": 20126,
      "number_observations_unique": 3184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 13.470
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.321
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [3.520,3.260],
      "number_observations": 19148,
      "number_observations_unique": 2969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 17.040
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.449
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.860,3.520],
      "number_observations": 18140,
      "number_observations_unique": 2726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 20.760
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.654
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.320,3.860],
      "number_observations": 15908,
      "number_observations_unique": 2480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 23.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.415
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.980,4.320],
      "number_observations": 13204,
      "number_observations_unique": 2205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 23.950
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.988
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.100,4.980],
      "number_observations": 12119,
      "number_observations_unique": 1891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 23.820
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [8.630,6.100],
      "number_observations": 9322,
      "number_observations_unique": 1499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 25.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.219
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [45.580,8.630],
      "number_observations": 5064,
      "number_observations_unique": 878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 30.120
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 5.768
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.580 45.580 2.030
High resolution limit [Å] 1.930 8.630 1.980
R(merge) 0.1910 0.0370 1.8430
R(meas) 0.2080 0.0410 2.0000
CC(1/2) 0.995 0.998 0.525
Completeness [%] 99.8 98.5 99.8
Multiplicity 6.5 5.8 6.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
45.580-8.630 0.0370 0.0410 0.998 98.5 5.8
8.630-6.100 0.0540 0.0590 0.997 99.9 6.2
6.100-4.980 0.0630 0.0690 0.995 99.8 6.4
4.980-4.320 0.0600 0.0660 0.997 99.4 6.0
4.320-3.860 0.0700 0.0760 0.996 99.4 6.4
3.860-3.520 0.0840 0.0910 0.995 99.8 6.7
3.520-3.260 0.1090 0.1180 0.993 99.8 6.4
3.260-3.050 0.1490 0.1620 0.987 99.8 6.3
3.050-2.880 0.2110 0.2290 0.980 99.9 6.7
2.880-2.730 0.2730 0.2950 0.971 100.0 6.8
2.730-2.600 0.3650 0.3960 0.958 100.0 6.8
2.600-2.490 0.4520 0.4930 0.921 99.9 6.3
2.490-2.390 0.5740 0.6260 0.906 99.8 6.3
2.390-2.310 0.6720 0.7300 0.877 99.8 6.6
2.310-2.230 0.8540 0.9250 0.825 99.7 6.7
2.230-2.160 1.0260 1.1100 0.763 99.7 6.8
2.160-2.090 1.2700 1.3820 0.641 99.8 6.5
2.090-2.030 1.5600 1.7020 0.555 99.7 6.3
2.030-1.980 1.8430 2.0000 0.525 99.8 6.6
1.980-1.930 2.2740 2.4630 0.398 99.8 6.7