Data quality metrics extracted from 7jqm.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": "6e0d13fc39e5604d430eae37f0c99634",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 208.64,
    "b": 447.57,
    "c": 619.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [151.790,3.050],
    "number_observations": 3726689,
    "number_observations_unique": 1075967,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.281
      },
      {
        "type": "R(meas)",
        "value": 0.334
      },
      {
        "type": "I/SigI",
        "value": 4.210
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 3.464
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.130,3.050],
      "number_observations": 262207,
      "number_observations_unique": 78327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.448
        },
        {
          "type": "R(meas)",
          "value": 1.726
        },
        {
          "type": "I/SigI",
          "value": 0.910
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.130],
      "number_observations": 278111,
      "number_observations_unique": 77821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.148
        },
        {
          "type": "R(meas)",
          "value": 1.352
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.574
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [3.310,3.210],
      "number_observations": 268495,
      "number_observations_unique": 75680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.937
        },
        {
          "type": "R(meas)",
          "value": 1.105
        },
        {
          "type": "I/SigI",
          "value": 1.470
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.548
        },
        {
          "type": "CC(1/2)",
          "value": 0.364
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.310],
      "number_observations": 258574,
      "number_observations_unique": 73434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.802
        },
        {
          "type": "R(meas)",
          "value": 0.946
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.521
        },
        {
          "type": "CC(1/2)",
          "value": 0.447
        }
      ]
    },
    {
      "resolution_limits": [3.520,3.410],
      "number_observations": 248455,
      "number_observations_unique": 71111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.682
        },
        {
          "type": "R(meas)",
          "value": 0.808
        },
        {
          "type": "I/SigI",
          "value": 1.980
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.494
        },
        {
          "type": "CC(1/2)",
          "value": 0.514
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.520],
      "number_observations": 235458,
      "number_observations_unique": 68537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.575
        },
        {
          "type": "R(meas)",
          "value": 0.683
        },
        {
          "type": "I/SigI",
          "value": 2.310
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.435
        },
        {
          "type": "CC(1/2)",
          "value": 0.593
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.650],
      "number_observations": 210757,
      "number_observations_unique": 65302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "I/SigI",
          "value": 2.720
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.227
        },
        {
          "type": "CC(1/2)",
          "value": 0.679
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.780],
      "number_observations": 221311,
      "number_observations_unique": 63584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "R(meas)",
          "value": 0.469
        },
        {
          "type": "I/SigI",
          "value": 3.330
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.481
        },
        {
          "type": "CC(1/2)",
          "value": 0.767
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.940],
      "number_observations": 220834,
      "number_observations_unique": 61546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "R(meas)",
          "value": 0.410
        },
        {
          "type": "I/SigI",
          "value": 3.860
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.588
        },
        {
          "type": "CC(1/2)",
          "value": 0.815
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.110],
      "number_observations": 208634,
      "number_observations_unique": 58879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.298
        },
        {
          "type": "R(meas)",
          "value": 0.352
        },
        {
          "type": "I/SigI",
          "value": 4.420
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.543
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [4.550,4.310],
      "number_observations": 195654,
      "number_observations_unique": 55813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "R(meas)",
          "value": 0.303
        },
        {
          "type": "I/SigI",
          "value": 5.020
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.506
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [4.820,4.550],
      "number_observations": 178860,
      "number_observations_unique": 52482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.264
        },
        {
          "type": "I/SigI",
          "value": 5.570
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.408
        },
        {
          "type": "CC(1/2)",
          "value": 0.907
        }
      ]
    },
    {
      "resolution_limits": [5.160,4.820],
      "number_observations": 159761,
      "number_observations_unique": 48610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 6.190
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.287
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [5.570,5.160],
      "number_observations": 167364,
      "number_observations_unique": 46504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 7.110
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.599
        },
        {
          "type": "CC(1/2)",
          "value": 0.944
        }
      ]
    },
    {
      "resolution_limits": [6.100,5.570],
      "number_observations": 152260,
      "number_observations_unique": 42887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 7.430
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.550
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [6.820,6.100],
      "number_observations": 132988,
      "number_observations_unique": 38624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "I/SigI",
          "value": 7.720
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.443
        },
        {
          "type": "CC(1/2)",
          "value": 0.954
        }
      ]
    },
    {
      "resolution_limits": [7.880,6.820],
      "number_observations": 108172,
      "number_observations_unique": 33222,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 9.100
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.256
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [9.640,7.880],
      "number_observations": 103104,
      "number_observations_unique": 29080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 11.030
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.546
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [13.640,9.640],
      "number_observations": 75489,
      "number_observations_unique": 22379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 13.590
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 3.373
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [151.790,13.640],
      "number_observations": 40201,
      "number_observations_unique": 12145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 15.980
        },
        {
          "type": "Completeness",
          "value": 93.600
        },
        {
          "type": "Redundancy",
          "value": 3.310
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 151.790 151.790 3.210
High resolution limit [Å] 3.050 13.640 3.130
R(merge) 0.2810 0.0510 1.1480
R(meas) 0.3340 0.0600 1.3520
CC(1/2) 0.982 0.997 0.275
Completeness [%] 98.8 93.6 99.6
Multiplicity 3.5 3.3 3.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
151.790-13.640 0.0510 0.0600 0.997 93.6 3.3
13.640-9.640 0.0700 0.0840 0.986 97.8 3.4
9.640-7.880 0.0990 0.1170 0.977 99.1 3.5
7.880-6.820 0.1200 0.1440 0.967 96.3 3.3
6.820-6.100 0.1480 0.1760 0.954 99.0 3.4
6.100-5.570 0.1610 0.1900 0.949 99.5 3.6
5.570-5.160 0.1740 0.2050 0.944 99.6 3.6
5.160-4.820 0.1930 0.2300 0.926 97.0 3.3
4.820-4.550 0.2220 0.2640 0.907 98.5 3.4
4.550-4.310 0.2560 0.3030 0.886 99.2 3.5
4.310-4.110 0.2980 0.3520 0.854 99.7 3.5
4.110-3.940 0.3480 0.4100 0.815 99.7 3.6
3.940-3.780 0.3960 0.4690 0.767 98.7 3.5
3.780-3.650 0.4670 0.5600 0.679 97.7 3.2
3.650-3.520 0.5750 0.6830 0.593 99.0 3.4
3.520-3.410 0.6820 0.8080 0.514 99.3 3.5
3.410-3.310 0.8020 0.9460 0.447 99.6 3.5
3.310-3.210 0.9370 1.1050 0.364 99.6 3.5
3.210-3.130 1.1480 1.3520 0.275 99.6 3.6
3.130-3.050 1.4480 1.7260 0.178 97.7 3.3