Data quality metrics extracted from 7fug.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": "d305a2b8b9659391711258f34500f349",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.35,
    "b": 156.61,
    "c": 58.39,
    "alpha": 90.00,
    "beta": 93.48,
    "gamma": 90.00
  },
  "wavelengths": [1.00005],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.62,2.110],
    "number_observations": 149493,
    "number_observations_unique": 43600,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 9.920
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.429
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.160,2.110],
      "number_observations": 10714,
      "number_observations_unique": 3209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.524
        },
        {
          "type": "R(meas)",
          "value": 4.198
        },
        {
          "type": "I/SigI",
          "value": 0.320
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.339
        },
        {
          "type": "CC(1/2)",
          "value": 0.131
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.160],
      "number_observations": 11041,
      "number_observations_unique": 3144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.729
        },
        {
          "type": "R(meas)",
          "value": 3.223
        },
        {
          "type": "I/SigI",
          "value": 0.450
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.512
        },
        {
          "type": "CC(1/2)",
          "value": 0.267
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.220],
      "number_observations": 10566,
      "number_observations_unique": 3006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.955
        },
        {
          "type": "R(meas)",
          "value": 2.310
        },
        {
          "type": "I/SigI",
          "value": 0.670
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.515
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.280],
      "number_observations": 10440,
      "number_observations_unique": 3006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.389
        },
        {
          "type": "R(meas)",
          "value": 1.642
        },
        {
          "type": "I/SigI",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.473
        },
        {
          "type": "CC(1/2)",
          "value": 0.474
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.350],
      "number_observations": 9574,
      "number_observations_unique": 2864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.156
        },
        {
          "type": "R(meas)",
          "value": 1.380
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.343
        },
        {
          "type": "CC(1/2)",
          "value": 0.609
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.430],
      "number_observations": 9144,
      "number_observations_unique": 2755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.801
        },
        {
          "type": "R(meas)",
          "value": 0.959
        },
        {
          "type": "I/SigI",
          "value": 1.550
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.319
        },
        {
          "type": "CC(1/2)",
          "value": 0.822
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.520],
      "number_observations": 9586,
      "number_observations_unique": 2694,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.545
        },
        {
          "type": "R(meas)",
          "value": 0.642
        },
        {
          "type": "I/SigI",
          "value": 2.450
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.558
        },
        {
          "type": "CC(1/2)",
          "value": 0.889
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.610],
      "number_observations": 9104,
      "number_observations_unique": 2562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "R(meas)",
          "value": 0.464
        },
        {
          "type": "I/SigI",
          "value": 3.390
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.553
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.720],
      "number_observations": 8744,
      "number_observations_unique": 2525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.300
        },
        {
          "type": "R(meas)",
          "value": 0.355
        },
        {
          "type": "I/SigI",
          "value": 4.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.463
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.840],
      "number_observations": 7679,
      "number_observations_unique": 2326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "R(meas)",
          "value": 0.233
        },
        {
          "type": "I/SigI",
          "value": 6.140
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.301
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.140,2.980],
      "number_observations": 7618,
      "number_observations_unique": 2254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 8.730
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.380
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.140],
      "number_observations": 7673,
      "number_observations_unique": 2151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 12.980
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.567
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.330],
      "number_observations": 7044,
      "number_observations_unique": 2017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 18.330
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.492
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.560],
      "number_observations": 6250,
      "number_observations_unique": 1869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 24.110
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.344
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.210,3.850],
      "number_observations": 5729,
      "number_observations_unique": 1719,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 28.030
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.333
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.710,4.210],
      "number_observations": 5551,
      "number_observations_unique": 1560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 33.550
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.558
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.440,4.710],
      "number_observations": 4636,
      "number_observations_unique": 1363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 35.400
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.401
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.660,5.440],
      "number_observations": 3720,
      "number_observations_unique": 1160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 34.710
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.207
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.420,6.660],
      "number_observations": 3061,
      "number_observations_unique": 905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 40.370
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.382
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.753,9.420],
      "number_observations": 1619,
      "number_observations_unique": 511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 44.190
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.168
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 54.620 46.753 2.220
High resolution limit [Å] 2.110 9.420 2.160
R(merge) 0.0570 0.0190 2.7290
R(meas) 0.0680 0.0230 3.2230
CC(1/2) 0.999 - 0.267
Completeness [%] 99.5 98.8 99.5
Multiplicity 3.4 3.2 3.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
46.753-9.420 0.0190 0.0230 - 98.8 3.2
9.420-6.660 0.0240 0.0290 0.999 99.3 3.4
6.660-5.440 0.0280 0.0340 0.999 99.0 3.2
5.440-4.710 0.0290 0.0350 0.998 99.6 3.4
4.710-4.210 0.0290 0.0350 0.998 99.8 3.6
4.210-3.850 0.0350 0.0420 0.999 99.2 3.3
3.850-3.560 0.0430 0.0510 0.998 99.7 3.3
3.560-3.330 0.0620 0.0730 0.997 99.6 3.5
3.330-3.140 0.0910 0.1070 0.995 99.4 3.6
3.140-2.980 0.1360 0.1620 0.992 99.7 3.4
2.980-2.840 0.1950 0.2330 0.983 99.6 3.3
2.840-2.720 0.3000 0.3550 0.963 99.9 3.5
2.720-2.610 0.3940 0.4640 0.936 99.6 3.6
2.610-2.520 0.5450 0.6420 0.889 99.6 3.6
2.520-2.430 0.8010 0.9590 0.822 99.6 3.3
2.430-2.350 1.1560 1.3800 0.609 99.5 3.3
2.350-2.280 1.3890 1.6420 0.474 99.7 3.5
2.280-2.220 1.9550 2.3100 0.389 99.4 3.5
2.220-2.160 2.7290 3.2230 0.267 99.5 3.5
2.160-2.110 3.5240 4.1980 0.131 98.8 3.3