Data quality metrics extracted from 8g2c.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": "c8cf18e168438a8892dcffff97754311",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.65,
    "b": 448.12,
    "c": 621.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [162.050,2.650],
    "number_observations": 5736096,
    "number_observations_unique": 1649189,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "I/SigI",
        "value": 8.490
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 3.478
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.720,2.650],
      "number_observations": 431443,
      "number_observations_unique": 122695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.203
        },
        {
          "type": "R(meas)",
          "value": 1.416
        },
        {
          "type": "I/SigI",
          "value": 1.020
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.516
        },
        {
          "type": "CC(1/2)",
          "value": 0.253
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.720],
      "number_observations": 414734,
      "number_observations_unique": 119344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.987
        },
        {
          "type": "R(meas)",
          "value": 1.165
        },
        {
          "type": "I/SigI",
          "value": 1.250
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.475
        },
        {
          "type": "CC(1/2)",
          "value": 0.335
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.790],
      "number_observations": 394645,
      "number_observations_unique": 115981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.766
        },
        {
          "type": "R(meas)",
          "value": 0.907
        },
        {
          "type": "I/SigI",
          "value": 1.580
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.403
        },
        {
          "type": "CC(1/2)",
          "value": 0.451
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.870],
      "number_observations": 352917,
      "number_observations_unique": 109587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.562
        },
        {
          "type": "R(meas)",
          "value": 0.671
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 3.220
        },
        {
          "type": "CC(1/2)",
          "value": 0.585
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.960],
      "number_observations": 380793,
      "number_observations_unique": 108669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 2.960
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.504
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    },
    {
      "resolution_limits": [3.170,3.060],
      "number_observations": 386190,
      "number_observations_unique": 106124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "R(meas)",
          "value": 0.369
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.639
        },
        {
          "type": "CC(1/2)",
          "value": 0.853
        }
      ]
    },
    {
      "resolution_limits": [3.290,3.170],
      "number_observations": 371857,
      "number_observations_unique": 102326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 5.310
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.634
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    },
    {
      "resolution_limits": [3.420,3.290],
      "number_observations": 353005,
      "number_observations_unique": 98318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "R(meas)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 6.410
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.590
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.420],
      "number_observations": 334924,
      "number_observations_unique": 94128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        },
        {
          "type": "R(meas)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 7.560
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.558
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [3.750,3.570],
      "number_observations": 315234,
      "number_observations_unique": 89901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 9.080
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.506
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.750],
      "number_observations": 292214,
      "number_observations_unique": 85342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 10.750
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.424
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [4.190,3.950],
      "number_observations": 265025,
      "number_observations_unique": 80410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 12.210
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.296
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.480,4.190],
      "number_observations": 231245,
      "number_observations_unique": 72901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 13.810
        },
        {
          "type": "Completeness",
          "value": 94.900
        },
        {
          "type": "Redundancy",
          "value": 3.172
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [4.840,4.480],
      "number_observations": 253657,
      "number_observations_unique": 70895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 16.340
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.578
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [5.300,4.840],
      "number_observations": 233679,
      "number_observations_unique": 65367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 17.990
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.575
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [5.930,5.300],
      "number_observations": 210900,
      "number_observations_unique": 59167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 19.230
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.564
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [6.840,5.930],
      "number_observations": 184306,
      "number_observations_unique": 52231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 19.580
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [8.380,6.840],
      "number_observations": 142329,
      "number_observations_unique": 43550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 21.890
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 3.268
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [11.850,8.380],
      "number_observations": 119845,
      "number_observations_unique": 33563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 27.100
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 3.571
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [162.050,11.850],
      "number_observations": 67154,
      "number_observations_unique": 18690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 31.880
        },
        {
          "type": "Completeness",
          "value": 94.600
        },
        {
          "type": "Redundancy",
          "value": 3.593
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 162.050 162.050 2.790
High resolution limit [Å] 2.650 11.850 2.720
R(merge) 0.1240 0.0230 0.9870
R(meas) 0.1460 0.0270 1.1650
CC(1/2) 0.994 0.999 0.335
Completeness [%] 98.7 94.6 99.6
Multiplicity 3.5 3.6 3.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
162.050-11.850 0.0230 0.0270 0.999 94.6 3.6
11.850-8.380 0.0300 0.0360 0.998 96.0 3.6
8.380-6.840 0.0420 0.0490 0.997 96.9 3.3
6.840-5.930 0.0520 0.0620 0.995 98.7 3.5
5.930-5.300 0.0580 0.0680 0.994 98.8 3.6
5.300-4.840 0.0660 0.0770 0.992 99.0 3.6
4.840-4.480 0.0760 0.0890 0.989 99.0 3.6
4.480-4.190 0.0850 0.1010 0.986 94.9 3.2
4.190-3.950 0.1000 0.1190 0.981 98.4 3.3
3.950-3.750 0.1180 0.1400 0.975 98.9 3.4
3.750-3.570 0.1430 0.1680 0.965 99.0 3.5
3.570-3.420 0.1730 0.2030 0.949 99.2 3.6
3.420-3.290 0.2040 0.2390 0.932 99.5 3.6
3.290-3.170 0.2460 0.2880 0.904 99.7 3.6
3.170-3.060 0.3160 0.3690 0.853 99.7 3.6
3.060-2.960 0.4210 0.4960 0.745 98.9 3.5
2.960-2.870 0.5620 0.6710 0.585 96.7 3.2
2.870-2.790 0.7660 0.9070 0.451 99.3 3.4
2.790-2.720 0.9870 1.1650 0.335 99.6 3.5
2.720-2.650 1.2030 1.4160 0.253 99.6 3.5