Data quality metrics extracted from 7g0c.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": "eb39e402f140dc7055713fdac3bd6fb7",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 32.107,
    "b": 52.905,
    "c": 72.208,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.10,1.140],
    "number_observations": 279601,
    "number_observations_unique": 45671,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 7.390
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.170
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.170,1.140],
      "number_observations": 19501,
      "number_observations_unique": 3315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.602
        },
        {
          "type": "R(meas)",
          "value": 1.758
        },
        {
          "type": "I/SigI",
          "value": 1.440
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.883
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    },
    {
      "resolution_limits": [1.200,1.170],
      "number_observations": 19399,
      "number_observations_unique": 3239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.519
        },
        {
          "type": "R(meas)",
          "value": 1.665
        },
        {
          "type": "I/SigI",
          "value": 1.580
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.989
        },
        {
          "type": "CC(1/2)",
          "value": 0.474
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.200],
      "number_observations": 18537,
      "number_observations_unique": 3183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.420
        },
        {
          "type": "R(meas)",
          "value": 1.561
        },
        {
          "type": "I/SigI",
          "value": 1.690
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.824
        },
        {
          "type": "CC(1/2)",
          "value": 0.528
        }
      ]
    },
    {
      "resolution_limits": [1.270,1.240],
      "number_observations": 18118,
      "number_observations_unique": 3018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.176
        },
        {
          "type": "R(meas)",
          "value": 1.290
        },
        {
          "type": "I/SigI",
          "value": 2.060
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.003
        },
        {
          "type": "CC(1/2)",
          "value": 0.637
        }
      ]
    },
    {
      "resolution_limits": [1.320,1.270],
      "number_observations": 18778,
      "number_observations_unique": 2989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.908
        },
        {
          "type": "R(meas)",
          "value": 0.991
        },
        {
          "type": "I/SigI",
          "value": 2.640
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    },
    {
      "resolution_limits": [1.360,1.320],
      "number_observations": 17958,
      "number_observations_unique": 2878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.753
        },
        {
          "type": "R(meas)",
          "value": 0.821
        },
        {
          "type": "I/SigI",
          "value": 3.130
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.240
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    },
    {
      "resolution_limits": [1.410,1.360],
      "number_observations": 16763,
      "number_observations_unique": 2775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.630
        },
        {
          "type": "R(meas)",
          "value": 0.690
        },
        {
          "type": "I/SigI",
          "value": 3.590
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.041
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.410],
      "number_observations": 16356,
      "number_observations_unique": 2698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.483
        },
        {
          "type": "R(meas)",
          "value": 0.528
        },
        {
          "type": "I/SigI",
          "value": 4.510
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.908
        }
      ]
    },
    {
      "resolution_limits": [1.540,1.470],
      "number_observations": 16908,
      "number_observations_unique": 2586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.353
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 6.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.538
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.540],
      "number_observations": 16032,
      "number_observations_unique": 2477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.269
        },
        {
          "type": "I/SigI",
          "value": 8.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.472
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.700,1.610],
      "number_observations": 15023,
      "number_observations_unique": 2361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 10.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.363
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.700],
      "number_observations": 13290,
      "number_observations_unique": 2231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 12.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.957
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.800],
      "number_observations": 13852,
      "number_observations_unique": 2099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 16.810
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.599
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.930],
      "number_observations": 12688,
      "number_observations_unique": 1975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 20.630
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.424
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.080],
      "number_observations": 11155,
      "number_observations_unique": 1811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 22.960
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.160
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.280],
      "number_observations": 9105,
      "number_observations_unique": 1655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 22.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.502
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.550],
      "number_observations": 9424,
      "number_observations_unique": 1487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 27.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.338
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.610,2.940],
      "number_observations": 7644,
      "number_observations_unique": 1257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 29.680
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.081
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.100,3.610],
      "number_observations": 5466,
      "number_observations_unique": 997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 29.570
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.482
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [36.110,5.100],
      "number_observations": 3604,
      "number_observations_unique": 612,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 30.080
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.889
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 36.100 36.110 1.200
High resolution limit [Å] 1.140 5.100 1.170
R(merge) 0.0930 0.0360 1.5190
R(meas) 0.1020 0.0400 1.6650
CC(1/2) 0.998 0.999 0.474
Completeness [%] 99.8 99.5 99.7
Multiplicity 6.2 5.9 6.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
36.110-5.100 0.0360 0.0400 0.999 99.5 5.9
5.100-3.610 0.0430 0.0480 0.998 99.4 5.5
3.610-2.940 0.0500 0.0540 0.997 99.4 7.1
2.940-2.550 0.0560 0.0610 0.997 99.7 6.3
2.550-2.280 0.0640 0.0710 0.996 99.8 5.5
2.280-2.080 0.0730 0.0800 0.995 99.7 6.2
2.080-1.930 0.0800 0.0880 0.995 99.7 6.4
1.930-1.800 0.1020 0.1110 0.994 99.9 6.6
1.800-1.700 0.1530 0.1680 0.985 100.0 6.0
1.700-1.610 0.1940 0.2120 0.981 100.0 6.4
1.610-1.540 0.2470 0.2690 0.972 100.0 6.5
1.540-1.470 0.3530 0.3850 0.953 100.0 6.5
1.470-1.410 0.4830 0.5280 0.908 99.9 7.1
1.410-1.360 0.6300 0.6900 0.861 99.8 6.0
1.360-1.320 0.7530 0.8210 0.819 99.8 6.2
1.320-1.270 0.9080 0.9910 0.749 99.5 6.3
1.270-1.240 1.1760 1.2900 0.637 99.6 6.0
1.240-1.200 1.4200 1.5610 0.528 99.6 5.8
1.200-1.170 1.5190 1.6650 0.474 99.7 6.0
1.170-1.140 1.6020 1.7580 0.481 99.7 5.9