Data quality metrics extracted from 7g59.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": "866da3415b8a6fc3bcf20419e571fb72",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.521,
    "b": 91.926,
    "c": 120.213,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99997],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.96,2.030],
    "number_observations": 410043,
    "number_observations_unique": 61234,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 12.520
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.696
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.080,2.030],
      "number_observations": 30620,
      "number_observations_unique": 4482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.620
        },
        {
          "type": "R(meas)",
          "value": 1.752
        },
        {
          "type": "I/SigI",
          "value": 1.080
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.832
        },
        {
          "type": "CC(1/2)",
          "value": 0.464
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.080],
      "number_observations": 29403,
      "number_observations_unique": 4379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.168
        },
        {
          "type": "R(meas)",
          "value": 1.265
        },
        {
          "type": "I/SigI",
          "value": 1.520
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.715
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.140],
      "number_observations": 27197,
      "number_observations_unique": 4215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.905
        },
        {
          "type": "R(meas)",
          "value": 0.984
        },
        {
          "type": "I/SigI",
          "value": 1.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.452
        },
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.200],
      "number_observations": 27314,
      "number_observations_unique": 4117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.706
        },
        {
          "type": "R(meas)",
          "value": 0.766
        },
        {
          "type": "I/SigI",
          "value": 2.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.634
        },
        {
          "type": "CC(1/2)",
          "value": 0.817
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.270],
      "number_observations": 28005,
      "number_observations_unique": 4007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.565
        },
        {
          "type": "R(meas)",
          "value": 0.610
        },
        {
          "type": "I/SigI",
          "value": 3.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.989
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.340],
      "number_observations": 26570,
      "number_observations_unique": 3851,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.459
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 4.030
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.430],
      "number_observations": 25458,
      "number_observations_unique": 3735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.398
        },
        {
          "type": "I/SigI",
          "value": 4.810
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.816
        },
        {
          "type": "CC(1/2)",
          "value": 0.946
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.520],
      "number_observations": 23752,
      "number_observations_unique": 3625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "R(meas)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 6.050
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.552
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.620],
      "number_observations": 22348,
      "number_observations_unique": 3455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.241
        },
        {
          "type": "I/SigI",
          "value": 7.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.468
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.740],
      "number_observations": 22931,
      "number_observations_unique": 3320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "R(meas)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 10.120
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.907
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.030,2.870],
      "number_observations": 21910,
      "number_observations_unique": 3158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 12.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.938
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.030],
      "number_observations": 20484,
      "number_observations_unique": 2994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 16.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.842
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.430,3.210],
      "number_observations": 18308,
      "number_observations_unique": 2828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 21.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.474
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.710,3.430],
      "number_observations": 17352,
      "number_observations_unique": 2628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 26.620
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.603
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.710],
      "number_observations": 16917,
      "number_observations_unique": 2440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 32.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.933
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.540,4.060],
      "number_observations": 14892,
      "number_observations_unique": 2214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 36.510
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.726
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.240,4.540],
      "number_observations": 12476,
      "number_observations_unique": 1990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 37.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.269
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.420,5.240],
      "number_observations": 11077,
      "number_observations_unique": 1677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 36.060
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.605
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.080,6.420],
      "number_observations": 8430,
      "number_observations_unique": 1333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 40.510
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.324
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [45.960,9.080],
      "number_observations": 4599,
      "number_observations_unique": 786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 51.630
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 5.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.960 45.960 2.140
High resolution limit [Å] 2.030 9.080 2.080
R(merge) 0.0980 0.0250 1.1680
R(meas) 0.1070 0.0270 1.2650
CC(1/2) 0.999 0.999 0.625
Completeness [%] 99.9 98.2 99.9
Multiplicity 6.7 5.9 6.7


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
45.960-9.080 0.0250 0.0270 0.999 98.2 5.9
9.080-6.420 0.0360 0.0390 0.999 99.9 6.3
6.420-5.240 0.0410 0.0450 0.999 99.9 6.6
5.240-4.540 0.0380 0.0420 0.999 100.0 6.3
4.540-4.060 0.0410 0.0440 0.999 100.0 6.7
4.060-3.710 0.0500 0.0540 0.998 100.0 6.9
3.710-3.430 0.0590 0.0640 0.998 99.9 6.6
3.430-3.210 0.0750 0.0820 0.997 100.0 6.5
3.210-3.030 0.1020 0.1110 0.994 100.0 6.8
3.030-2.870 0.1370 0.1480 0.991 100.0 6.9
2.870-2.740 0.1720 0.1860 0.985 99.9 6.9
2.740-2.620 0.2220 0.2410 0.975 100.0 6.5
2.620-2.520 0.2870 0.3120 0.957 99.9 6.6
2.520-2.430 0.3680 0.3980 0.946 99.9 6.8
2.430-2.340 0.4590 0.4960 0.912 99.9 6.9
2.340-2.270 0.5650 0.6100 0.884 100.0 7.0
2.270-2.200 0.7060 0.7660 0.817 100.0 6.6
2.200-2.140 0.9050 0.9840 0.689 99.9 6.5
2.140-2.080 1.1680 1.2650 0.625 99.9 6.7
2.080-2.030 1.6200 1.7520 0.464 99.9 6.8