Data quality metrics extracted from 7g13.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": "454637ce4e23a0da99a008ab911b0569",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 32.141,
    "b": 53.024,
    "c": 72.169,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.73,1.150],
    "number_observations": 269199,
    "number_observations_unique": 44200,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "I/SigI",
        "value": 10.490
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 6.030
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.180,1.150],
      "number_observations": 18723,
      "number_observations_unique": 3111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.376
        },
        {
          "type": "R(meas)",
          "value": 1.506
        },
        {
          "type": "I/SigI",
          "value": 1.380
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 6.018
        },
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [1.210,1.180],
      "number_observations": 17666,
      "number_observations_unique": 3044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.245
        },
        {
          "type": "R(meas)",
          "value": 1.368
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 5.804
        },
        {
          "type": "CC(1/2)",
          "value": 0.579
        }
      ]
    },
    {
      "resolution_limits": [1.250,1.210],
      "number_observations": 17550,
      "number_observations_unique": 3018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.092
        },
        {
          "type": "R(meas)",
          "value": 1.199
        },
        {
          "type": "I/SigI",
          "value": 1.760
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 5.815
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.250],
      "number_observations": 18431,
      "number_observations_unique": 2987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.941
        },
        {
          "type": "R(meas)",
          "value": 1.027
        },
        {
          "type": "I/SigI",
          "value": 2.190
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.170
        },
        {
          "type": "CC(1/2)",
          "value": 0.743
        }
      ]
    },
    {
      "resolution_limits": [1.330,1.290],
      "number_observations": 17478,
      "number_observations_unique": 2847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.806
        },
        {
          "type": "R(meas)",
          "value": 0.880
        },
        {
          "type": "I/SigI",
          "value": 2.580
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.139
        },
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    },
    {
      "resolution_limits": [1.370,1.330],
      "number_observations": 16668,
      "number_observations_unique": 2815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.620
        },
        {
          "type": "R(meas)",
          "value": 0.679
        },
        {
          "type": "I/SigI",
          "value": 3.270
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.370],
      "number_observations": 15657,
      "number_observations_unique": 2707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.509
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "I/SigI",
          "value": 3.940
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.784
        },
        {
          "type": "CC(1/2)",
          "value": 0.871
        }
      ]
    },
    {
      "resolution_limits": [1.480,1.430],
      "number_observations": 16544,
      "number_observations_unique": 2635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.432
        },
        {
          "type": "R(meas)",
          "value": 0.471
        },
        {
          "type": "I/SigI",
          "value": 4.840
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.279
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.480],
      "number_observations": 15619,
      "number_observations_unique": 2527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 6.350
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.181
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.550],
      "number_observations": 14716,
      "number_observations_unique": 2407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 8.940
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.114
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.630],
      "number_observations": 13119,
      "number_observations_unique": 2303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 10.590
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.696
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.710],
      "number_observations": 13941,
      "number_observations_unique": 2178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 14.220
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.401
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [1.940,1.820],
      "number_observations": 13607,
      "number_observations_unique": 2064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 19.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.593
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.100,1.940],
      "number_observations": 12632,
      "number_observations_unique": 1912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 24.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.607
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.100],
      "number_observations": 11109,
      "number_observations_unique": 1797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 27.430
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.300],
      "number_observations": 9813,
      "number_observations_unique": 1610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 29.590
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.095
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.570],
      "number_observations": 9547,
      "number_observations_unique": 1452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 35.140
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.575
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.640,2.970],
      "number_observations": 7584,
      "number_observations_unique": 1226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 40.840
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.186
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.140,3.640],
      "number_observations": 5283,
      "number_observations_unique": 967,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 42.880
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 5.463
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [42.730,5.140],
      "number_observations": 3512,
      "number_observations_unique": 595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 44.420
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 5.903
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.730 42.730 1.210
High resolution limit [Å] 1.150 5.140 1.180
R(merge) 0.0930 0.0310 1.2450
R(meas) 0.1170 0.0340 1.3680
CC(1/2) 0.998 0.999 0.579
Completeness [%] 98.9 99.2 96.6
Multiplicity 6.0 5.9 5.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
42.730-5.140 0.0310 0.0340 0.999 99.2 5.9
5.140-3.640 0.0330 0.0370 0.999 98.7 5.5
3.640-2.970 0.0410 0.0440 0.998 99.4 6.2
2.970-2.570 0.0550 0.0590 0.998 99.8 6.6
2.570-2.300 0.0710 0.0780 0.995 99.7 7.1
2.300-2.100 0.0850 0.0940 0.994 99.6 6.2
2.100-1.940 0.1060 0.1150 0.994 99.9 6.6
1.940-1.820 0.1260 0.1370 0.991 99.8 6.6
1.820-1.710 0.1590 0.1730 0.987 99.8 6.4
1.710-1.630 0.1900 0.2100 0.974 99.6 5.7
1.630-1.550 0.2310 0.2530 0.975 99.8 6.1
1.550-1.480 0.3290 0.3590 0.951 99.8 6.2
1.480-1.430 0.4320 0.4710 0.914 99.8 6.3
1.430-1.370 0.5090 0.5600 0.871 99.6 5.8
1.370-1.330 0.6200 0.6790 0.849 99.7 5.9
1.330-1.290 0.8060 0.8800 0.787 98.7 6.1
1.290-1.250 0.9410 1.0270 0.743 98.5 6.2
1.250-1.210 1.0920 1.1990 0.658 97.9 5.8
1.210-1.180 1.2450 1.3680 0.579 96.6 5.8
1.180-1.150 1.3760 1.5060 0.494 96.0 6.0