Data quality metrics extracted from 7g7f.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": "bbc8ba149aa8b459d4aa99a9264a52cc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.009,
    "b": 91.379,
    "c": 119.499,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99998],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.69,1.960],
    "number_observations": 444440,
    "number_observations_unique": 66745,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 12.020
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.659
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.010,1.960],
      "number_observations": 33471,
      "number_observations_unique": 4868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.263
        },
        {
          "type": "R(meas)",
          "value": 2.449
        },
        {
          "type": "I/SigI",
          "value": 0.980
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.876
        },
        {
          "type": "CC(1/2)",
          "value": 0.353
        }
      ]
    },
    {
      "resolution_limits": [2.070,2.010],
      "number_observations": 32951,
      "number_observations_unique": 4770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.751
        },
        {
          "type": "R(meas)",
          "value": 1.894
        },
        {
          "type": "I/SigI",
          "value": 1.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.908
        },
        {
          "type": "CC(1/2)",
          "value": 0.416
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.070],
      "number_observations": 31719,
      "number_observations_unique": 4630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.314
        },
        {
          "type": "R(meas)",
          "value": 1.422
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.601
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.130],
      "number_observations": 30100,
      "number_observations_unique": 4460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.059
        },
        {
          "type": "R(meas)",
          "value": 1.148
        },
        {
          "type": "I/SigI",
          "value": 2.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.749
        },
        {
          "type": "CC(1/2)",
          "value": 0.703
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.190],
      "number_observations": 28744,
      "number_observations_unique": 4359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.795
        },
        {
          "type": "R(meas)",
          "value": 0.864
        },
        {
          "type": "I/SigI",
          "value": 2.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.594
        },
        {
          "type": "CC(1/2)",
          "value": 0.795
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.260],
      "number_observations": 26625,
      "number_observations_unique": 4254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.694
        },
        {
          "type": "I/SigI",
          "value": 3.670
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.259
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.340],
      "number_observations": 27134,
      "number_observations_unique": 4070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.495
        },
        {
          "type": "R(meas)",
          "value": 0.537
        },
        {
          "type": "I/SigI",
          "value": 4.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.667
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.430],
      "number_observations": 27232,
      "number_observations_unique": 3927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "R(meas)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 5.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.935
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.530],
      "number_observations": 25962,
      "number_observations_unique": 3768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.303
        },
        {
          "type": "R(meas)",
          "value": 0.328
        },
        {
          "type": "I/SigI",
          "value": 7.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.890
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.640],
      "number_observations": 24596,
      "number_observations_unique": 3606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.240
        },
        {
          "type": "I/SigI",
          "value": 9.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.821
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.770],
      "number_observations": 22888,
      "number_observations_unique": 3452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 12.570
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.630
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.920],
      "number_observations": 20445,
      "number_observations_unique": 3255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 15.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.281
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.310,3.100],
      "number_observations": 21415,
      "number_observations_unique": 3086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 21.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.939
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.310],
      "number_observations": 19684,
      "number_observations_unique": 2882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 26.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.830
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.920,3.580],
      "number_observations": 17400,
      "number_observations_unique": 2634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 30.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.606
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.380,3.920],
      "number_observations": 14667,
      "number_observations_unique": 2423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 33.180
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.053
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.060,4.380],
      "number_observations": 13784,
      "number_observations_unique": 2155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 36.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.396
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.200,5.060],
      "number_observations": 11975,
      "number_observations_unique": 1828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 36.230
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.551
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.770,6.200],
      "number_observations": 8572,
      "number_observations_unique": 1459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 37.750
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.875
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [48.690,8.770],
      "number_observations": 5076,
      "number_observations_unique": 859,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 46.030
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 5.909
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.690 48.690 2.070
High resolution limit [Å] 1.960 8.770 2.010
R(merge) 0.1130 0.0270 1.7510
R(meas) 0.1230 0.0300 1.8940
CC(1/2) 0.998 0.999 0.416
Completeness [%] 100.0 98.8 100.0
Multiplicity 6.7 5.9 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
48.690-8.770 0.0270 0.0300 0.999 98.8 5.9
8.770-6.200 0.0360 0.0400 0.999 100.0 5.9
6.200-5.060 0.0420 0.0460 0.998 99.9 6.6
5.060-4.380 0.0410 0.0440 0.998 100.0 6.4
4.380-3.920 0.0450 0.0500 0.998 99.9 7.1
3.920-3.580 0.0540 0.0590 0.998 100.0 6.6
3.580-3.310 0.0660 0.0710 0.997 100.0 6.8
3.310-3.100 0.0870 0.0940 0.996 100.0 6.9
3.100-2.920 0.1210 0.1320 0.992 100.0 6.3
2.920-2.770 0.1630 0.1770 0.988 100.0 6.6
2.770-2.640 0.2220 0.2400 0.981 99.9 6.8
2.640-2.530 0.3030 0.3280 0.964 100.0 6.9
2.530-2.430 0.3950 0.4280 0.949 100.0 6.9
2.430-2.340 0.4950 0.5370 0.919 100.0 6.7
2.340-2.260 0.6360 0.6940 0.849 100.0 6.3
2.260-2.190 0.7950 0.8640 0.795 100.0 6.6
2.190-2.130 1.0590 1.1480 0.703 100.0 6.7
2.130-2.070 1.3140 1.4220 0.601 100.0 6.9
2.070-2.010 1.7510 1.8940 0.416 100.0 6.9
2.010-1.960 2.2630 2.4490 0.353 99.9 6.9