Data quality metrics extracted from 8fc4.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": "99af5a95c416859ffc4dc75a76c8cf3a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.46,
    "b": 449.56,
    "c": 619.15,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [103.720,2.450],
    "number_observations": 8767329,
    "number_observations_unique": 2082801,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.148
      },
      {
        "type": "R(meas)",
        "value": 0.169
      },
      {
        "type": "I/SigI",
        "value": 7.510
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 4.209
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.510,2.450],
      "number_observations": 632277,
      "number_observations_unique": 151966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.569
        },
        {
          "type": "R(meas)",
          "value": 1.803
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 4.161
        },
        {
          "type": "CC(1/2)",
          "value": 0.134
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.510],
      "number_observations": 630067,
      "number_observations_unique": 149481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.229
        },
        {
          "type": "R(meas)",
          "value": 1.410
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.215
        },
        {
          "type": "CC(1/2)",
          "value": 0.210
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.580],
      "number_observations": 617869,
      "number_observations_unique": 145772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.999
        },
        {
          "type": "R(meas)",
          "value": 1.146
        },
        {
          "type": "I/SigI",
          "value": 1.370
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 4.239
        },
        {
          "type": "CC(1/2)",
          "value": 0.282
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.660],
      "number_observations": 604833,
      "number_observations_unique": 141869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.793
        },
        {
          "type": "R(meas)",
          "value": 0.907
        },
        {
          "type": "I/SigI",
          "value": 1.750
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.263
        },
        {
          "type": "CC(1/2)",
          "value": 0.402
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.740],
      "number_observations": 584548,
      "number_observations_unique": 137734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.640
        },
        {
          "type": "R(meas)",
          "value": 0.733
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.244
        },
        {
          "type": "CC(1/2)",
          "value": 0.510
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.830],
      "number_observations": 561662,
      "number_observations_unique": 133228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.479
        },
        {
          "type": "R(meas)",
          "value": 0.548
        },
        {
          "type": "I/SigI",
          "value": 2.980
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.216
        },
        {
          "type": "CC(1/2)",
          "value": 0.657
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.930],
      "number_observations": 528941,
      "number_observations_unique": 128447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        },
        {
          "type": "R(meas)",
          "value": 0.401
        },
        {
          "type": "I/SigI",
          "value": 4.090
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.118
        },
        {
          "type": "CC(1/2)",
          "value": 0.782
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.040],
      "number_observations": 479584,
      "number_observations_unique": 122550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "R(meas)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 5.590
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.913
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.160],
      "number_observations": 530679,
      "number_observations_unique": 119111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "R(meas)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 7.650
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.455
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    },
    {
      "resolution_limits": [3.460,3.300],
      "number_observations": 506319,
      "number_observations_unique": 113787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 9.070
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.450
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.460],
      "number_observations": 471611,
      "number_observations_unique": 108181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 10.410
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.359
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.650],
      "number_observations": 436088,
      "number_observations_unique": 102217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 12.110
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 4.266
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [4.140,3.870],
      "number_observations": 394214,
      "number_observations_unique": 95854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 13.420
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 4.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.140],
      "number_observations": 345132,
      "number_observations_unique": 89073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 14.380
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.875
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [4.900,4.470],
      "number_observations": 319663,
      "number_observations_unique": 80944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 15.740
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.949
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [5.480,4.900],
      "number_observations": 320396,
      "number_observations_unique": 74606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 17.460
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 4.295
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [6.330,5.480],
      "number_observations": 284789,
      "number_observations_unique": 65956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 17.800
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 4.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [7.750,6.330],
      "number_observations": 237443,
      "number_observations_unique": 55766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 18.190
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 4.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [10.960,7.750],
      "number_observations": 173678,
      "number_observations_unique": 42421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 19.350
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 4.094
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [103.720,10.960],
      "number_observations": 107536,
      "number_observations_unique": 23838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 22.230
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 4.511
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 103.720 103.720 2.580
High resolution limit [Å] 2.450 10.960 2.510
R(merge) 0.1480 0.0490 1.2290
R(meas) 0.1690 0.0550 1.4100
CC(1/2) 0.991 0.995 0.210
Completeness [%] 98.8 96.1 98.7
Multiplicity 4.2 4.5 4.2


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
103.720-10.960 0.0490 0.0550 0.995 96.1 4.5
10.960-7.750 0.0540 0.0620 0.994 96.3 5.1
7.750-6.330 0.0670 0.0760 0.992 98.5 4.3
6.330-5.480 0.0770 0.0880 0.989 98.8 4.3
5.480-4.900 0.0840 0.0950 0.987 98.9 4.3
4.900-4.470 0.0910 0.1040 0.983 97.2 3.9
4.470-4.140 0.1010 0.1170 0.978 98.5 3.9
4.140-3.870 0.1140 0.1310 0.975 99.0 4.1
3.870-3.650 0.1300 0.1480 0.970 99.0 4.3
3.650-3.460 0.1510 0.1720 0.959 99.3 4.4
3.460-3.300 0.1750 0.1990 0.945 99.5 4.5
3.300-3.160 0.2060 0.2340 0.923 99.5 4.5
3.160-3.040 0.2490 0.2880 0.872 98.3 3.9
3.040-2.930 0.3490 0.4010 0.782 99.1 4.1
2.930-2.830 0.4790 0.5480 0.657 99.4 4.2
2.830-2.740 0.6400 0.7330 0.510 99.3 4.2
2.740-2.660 0.7930 0.9070 0.402 99.2 4.3
2.660-2.580 0.9990 1.1460 0.282 99.0 4.2
2.580-2.510 1.2290 1.4100 0.210 98.7 4.2
2.510-2.450 1.5690 1.8030 0.134 97.8 4.2