Data quality metrics extracted from 7fu5.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": "14de155475a92ddd4e87c7f50728e36d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 219.993,
    "b": 45.554,
    "c": 89.978,
    "alpha": 90.00,
    "beta": 111.38,
    "gamma": 90.00
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.89,2.180],
    "number_observations": 146267,
    "number_observations_unique": 43609,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 7.520
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.354
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.240,2.180],
      "number_observations": 10869,
      "number_observations_unique": 3195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.327
        },
        {
          "type": "R(meas)",
          "value": 3.952
        },
        {
          "type": "I/SigI",
          "value": 0.430
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.402
        },
        {
          "type": "CC(1/2)",
          "value": 0.157
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.240],
      "number_observations": 10475,
      "number_observations_unique": 3125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.460
        },
        {
          "type": "R(meas)",
          "value": 2.932
        },
        {
          "type": "I/SigI",
          "value": 0.580
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.352
        },
        {
          "type": "CC(1/2)",
          "value": 0.255
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.300],
      "number_observations": 9550,
      "number_observations_unique": 3025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.083
        },
        {
          "type": "R(meas)",
          "value": 2.511
        },
        {
          "type": "I/SigI",
          "value": 0.680
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.298
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.370],
      "number_observations": 10092,
      "number_observations_unique": 2938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.530
        },
        {
          "type": "R(meas)",
          "value": 1.818
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.435
        },
        {
          "type": "CC(1/2)",
          "value": 0.403
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.440],
      "number_observations": 10020,
      "number_observations_unique": 2875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.090
        },
        {
          "type": "R(meas)",
          "value": 1.291
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.485
        },
        {
          "type": "CC(1/2)",
          "value": 0.616
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.520],
      "number_observations": 9483,
      "number_observations_unique": 2735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.892
        },
        {
          "type": "R(meas)",
          "value": 1.055
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.467
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.610],
      "number_observations": 9027,
      "number_observations_unique": 2664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "R(meas)",
          "value": 0.869
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.389
        },
        {
          "type": "CC(1/2)",
          "value": 0.801
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.710],
      "number_observations": 8452,
      "number_observations_unique": 2581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.514
        },
        {
          "type": "R(meas)",
          "value": 0.615
        },
        {
          "type": "I/SigI",
          "value": 2.820
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.275
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.820],
      "number_observations": 7828,
      "number_observations_unique": 2450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.456
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.195
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.940],
      "number_observations": 8261,
      "number_observations_unique": 2382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "I/SigI",
          "value": 5.440
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.468
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.090],
      "number_observations": 7822,
      "number_observations_unique": 2251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 7.260
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.475
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [3.450,3.250],
      "number_observations": 7368,
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 10.200
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.437
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.450],
      "number_observations": 6451,
      "number_observations_unique": 1979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 13.390
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.260
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.990,3.690],
      "number_observations": 6209,
      "number_observations_unique": 1888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 16.880
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.289
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.370,3.990],
      "number_observations": 6032,
      "number_observations_unique": 1729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 21.420
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.489
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.880,4.370],
      "number_observations": 5408,
      "number_observations_unique": 1585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 24.000
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.412
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.640,4.880],
      "number_observations": 4344,
      "number_observations_unique": 1409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 22.720
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.083
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.900,5.640],
      "number_observations": 3966,
      "number_observations_unique": 1174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 23.770
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.378
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [9.760,6.900],
      "number_observations": 2996,
      "number_observations_unique": 935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 29.000
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.204
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [55.670,9.760],
      "number_observations": 1614,
      "number_observations_unique": 545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 32.530
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 2.961
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 80.890 55.670 2.300
High resolution limit [Å] 2.180 9.760 2.240
R(merge) 0.0960 0.0270 2.4600
R(meas) 0.1140 0.0330 2.9320
CC(1/2) 0.998 0.998 0.255
Completeness [%] 99.5 98.2 99.5
Multiplicity 3.4 3.0 3.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
55.670-9.760 0.0270 0.0330 0.998 98.2 3.0
9.760-6.900 0.0310 0.0370 0.997 99.3 3.2
6.900-5.640 0.0420 0.0500 0.997 99.4 3.4
5.640-4.880 0.0400 0.0480 0.998 99.1 4.1
4.880-4.370 0.0410 0.0480 0.998 99.5 3.4
4.370-3.990 0.0480 0.0570 0.997 99.5 3.5
3.990-3.690 0.0650 0.0780 0.994 99.5 3.3
3.690-3.450 0.0850 0.1020 0.992 99.5 3.3
3.450-3.250 0.1310 0.1560 0.983 99.6 3.4
3.250-3.090 0.1890 0.2240 0.972 99.3 3.5
3.090-2.940 0.2670 0.3160 0.945 99.7 3.5
2.940-2.820 0.3790 0.4560 0.902 99.5 3.2
2.820-2.710 0.5140 0.6150 0.818 99.3 3.3
2.710-2.610 0.7320 0.8690 0.801 99.2 3.4
2.610-2.520 0.8920 1.0550 0.708 99.4 3.5
2.520-2.440 1.0900 1.2910 0.616 99.4 3.5
2.440-2.370 1.5300 1.8180 0.403 99.7 3.4
2.370-2.300 2.0830 2.5110 0.298 99.7 3.2
2.300-2.240 2.4600 2.9320 0.255 99.5 3.4
2.240-2.180 3.3270 3.9520 0.157 99.6 3.4