Data quality metrics extracted from 7g64.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": "b57c923d3051ccd0840454814bc0e733",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.380,
    "b": 91.754,
    "c": 121.021,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92020],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.88,2.000],
    "number_observations": 429246,
    "number_observations_unique": 64177,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "R(meas)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 10.030
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.688
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 32487,
      "number_observations_unique": 4679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.950
        },
        {
          "type": "R(meas)",
          "value": 2.107
        },
        {
          "type": "I/SigI",
          "value": 1.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.943
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.050],
      "number_observations": 31567,
      "number_observations_unique": 4577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.522
        },
        {
          "type": "R(meas)",
          "value": 1.647
        },
        {
          "type": "I/SigI",
          "value": 1.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.897
        },
        {
          "type": "CC(1/2)",
          "value": 0.470
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.110],
      "number_observations": 30179,
      "number_observations_unique": 4436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.212
        },
        {
          "type": "R(meas)",
          "value": 1.312
        },
        {
          "type": "I/SigI",
          "value": 1.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.803
        },
        {
          "type": "CC(1/2)",
          "value": 0.555
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.170],
      "number_observations": 28171,
      "number_observations_unique": 4327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.074
        },
        {
          "type": "R(meas)",
          "value": 1.168
        },
        {
          "type": "I/SigI",
          "value": 1.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.511
        },
        {
          "type": "CC(1/2)",
          "value": 0.641
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.240],
      "number_observations": 27623,
      "number_observations_unique": 4195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.890
        },
        {
          "type": "R(meas)",
          "value": 0.967
        },
        {
          "type": "I/SigI",
          "value": 2.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.585
        },
        {
          "type": "CC(1/2)",
          "value": 0.722
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 28050,
      "number_observations_unique": 4030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.655
        },
        {
          "type": "R(meas)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 3.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.960
        },
        {
          "type": "CC(1/2)",
          "value": 0.837
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.390],
      "number_observations": 27303,
      "number_observations_unique": 3947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.570
        },
        {
          "type": "I/SigI",
          "value": 3.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.917
        },
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.480],
      "number_observations": 25675,
      "number_observations_unique": 3752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "R(meas)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 4.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.843
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.580],
      "number_observations": 23980,
      "number_observations_unique": 3645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "R(meas)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 6.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.579
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.700],
      "number_observations": 22624,
      "number_observations_unique": 3477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "R(meas)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 7.810
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.507
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.830],
      "number_observations": 22848,
      "number_observations_unique": 3311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "R(meas)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 10.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.901
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.980],
      "number_observations": 21528,
      "number_observations_unique": 3138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 13.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.860
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.160],
      "number_observations": 19907,
      "number_observations_unique": 2968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 17.210
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.707
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.380],
      "number_observations": 17539,
      "number_observations_unique": 2749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 20.670
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.380
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.650],
      "number_observations": 16909,
      "number_observations_unique": 2577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 24.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.562
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.000],
      "number_observations": 15490,
      "number_observations_unique": 2326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 29.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.660
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.160,4.470],
      "number_observations": 12789,
      "number_observations_unique": 2044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 31.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.257
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.320,5.160],
      "number_observations": 11158,
      "number_observations_unique": 1769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 29.220
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.308
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.940,6.320],
      "number_observations": 8840,
      "number_observations_unique": 1404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 33.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.296
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [45.880,8.940],
      "number_observations": 4579,
      "number_observations_unique": 826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 41.230
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 5.544
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.880 45.880 2.110
High resolution limit [Å] 2.000 8.940 2.050
R(merge) 0.1410 0.0290 1.5220
R(meas) 0.1530 0.0320 1.6470
CC(1/2) 0.998 0.999 0.470
Completeness [%] 100.0 98.6 100.0
Multiplicity 6.7 5.5 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
45.880-8.940 0.0290 0.0320 0.999 98.6 5.5
8.940-6.320 0.0420 0.0460 0.999 100.0 6.3
6.320-5.160 0.0520 0.0560 0.998 99.9 6.3
5.160-4.470 0.0470 0.0510 0.998 100.0 6.3
4.470-4.000 0.0530 0.0580 0.998 100.0 6.7
4.000-3.650 0.0660 0.0720 0.997 99.9 6.6
3.650-3.380 0.0810 0.0880 0.996 100.0 6.4
3.380-3.160 0.1020 0.1110 0.994 99.9 6.7
3.160-2.980 0.1400 0.1520 0.990 100.0 6.9
2.980-2.830 0.1850 0.2000 0.982 100.0 6.9
2.830-2.700 0.2380 0.2580 0.970 99.9 6.5
2.700-2.580 0.3180 0.3450 0.950 100.0 6.6
2.580-2.480 0.4180 0.4530 0.926 100.0 6.8
2.480-2.390 0.5270 0.5700 0.891 100.0 6.9
2.390-2.310 0.6550 0.7080 0.837 100.0 7.0
2.310-2.240 0.8900 0.9670 0.722 100.0 6.6
2.240-2.170 1.0740 1.1680 0.641 99.9 6.5
2.170-2.110 1.2120 1.3120 0.555 100.0 6.8
2.110-2.050 1.5220 1.6470 0.470 100.0 6.9
2.050-2.000 1.9500 2.1070 0.357 100.0 6.9