Data quality metrics extracted from 6n9f.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": "75e098f0e63c43677831b4203ce77cee",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 211.39,
    "b": 452.15,
    "c": 617.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [255.015,3.700],
    "number_observations": 2154810,
    "number_observations_unique": 615531,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.177
      },
      {
        "type": "R(meas)",
        "value": 0.209
      },
      {
        "type": "I/SigI",
        "value": 5.590
      },
      {
        "type": "Completeness",
        "value": 98.500
      },
      {
        "type": "Redundancy",
        "value": 3.501
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.800,3.700],
      "number_observations": 142064,
      "number_observations_unique": 45204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.437
        },
        {
          "type": "R(meas)",
          "value": 1.727
        },
        {
          "type": "I/SigI",
          "value": 0.860
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.143
        },
        {
          "type": "CC(1/2)",
          "value": 0.249
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.800],
      "number_observations": 155810,
      "number_observations_unique": 44603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.165
        },
        {
          "type": "R(meas)",
          "value": 1.372
        },
        {
          "type": "I/SigI",
          "value": 1.140
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.493
        },
        {
          "type": "CC(1/2)",
          "value": 0.373
        }
      ]
    },
    {
      "resolution_limits": [4.010,3.900],
      "number_observations": 156417,
      "number_observations_unique": 43345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.956
        },
        {
          "type": "R(meas)",
          "value": 1.121
        },
        {
          "type": "I/SigI",
          "value": 1.420
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.609
        },
        {
          "type": "CC(1/2)",
          "value": 0.460
        }
      ]
    },
    {
      "resolution_limits": [4.140,4.010],
      "number_observations": 152321,
      "number_observations_unique": 42210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.790
        },
        {
          "type": "R(meas)",
          "value": 0.926
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.609
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        }
      ]
    },
    {
      "resolution_limits": [4.270,4.140],
      "number_observations": 145783,
      "number_observations_unique": 40715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.642
        },
        {
          "type": "R(meas)",
          "value": 0.754
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.581
        },
        {
          "type": "CC(1/2)",
          "value": 0.657
        }
      ]
    },
    {
      "resolution_limits": [4.420,4.270],
      "number_observations": 140077,
      "number_observations_unique": 39467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "R(meas)",
          "value": 0.596
        },
        {
          "type": "I/SigI",
          "value": 2.560
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.549
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    },
    {
      "resolution_limits": [4.590,4.420],
      "number_observations": 134255,
      "number_observations_unique": 38025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 3.080
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.531
        },
        {
          "type": "CC(1/2)",
          "value": 0.813
        }
      ]
    },
    {
      "resolution_limits": [4.780,4.590],
      "number_observations": 125447,
      "number_observations_unique": 36269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "R(meas)",
          "value": 0.402
        },
        {
          "type": "I/SigI",
          "value": 3.620
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.459
        },
        {
          "type": "CC(1/2)",
          "value": 0.863
        }
      ]
    },
    {
      "resolution_limits": [4.990,4.780],
      "number_observations": 111420,
      "number_observations_unique": 34636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "R(meas)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 4.150
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.217
        },
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    },
    {
      "resolution_limits": [5.230,4.990],
      "number_observations": 118132,
      "number_observations_unique": 33504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 5.320
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.526
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [5.520,5.230],
      "number_observations": 117230,
      "number_observations_unique": 31962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 6.280
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.668
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [5.850,5.520],
      "number_observations": 109824,
      "number_observations_unique": 30185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 7.000
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.638
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [6.250,5.850],
      "number_observations": 102081,
      "number_observations_unique": 28220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "R(meas)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 7.650
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.617
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [6.760,6.250],
      "number_observations": 92349,
      "number_observations_unique": 26308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 8.560
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.510
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [7.400,6.760],
      "number_observations": 77736,
      "number_observations_unique": 23880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 10.340
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 3.255
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [8.270,7.400],
      "number_observations": 77845,
      "number_observations_unique": 21877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 13.020
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.558
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [9.550,8.270],
      "number_observations": 70743,
      "number_observations_unique": 19306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 15.610
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 3.664
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [11.700,9.550],
      "number_observations": 58656,
      "number_observations_unique": 16322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 19.430
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 3.594
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [16.550,11.700],
      "number_observations": 40625,
      "number_observations_unique": 12424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 21.540
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 3.270
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [255.015,16.550],
      "number_observations": 25995,
      "number_observations_unique": 7069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 26.600
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 3.677
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 255.015 255.015 3.900
High resolution limit [Å] 3.700 16.550 3.800
R(merge) 0.1770 0.0430 1.1650
R(meas) 0.2090 0.0510 1.3720
CC(1/2) 0.995 0.995 0.373
Completeness [%] 98.5 94.0 99.6
Multiplicity 3.5 3.7 3.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
255.015-16.550 0.0430 0.0510 0.995 94.0 3.7
16.550-11.700 0.0460 0.0550 0.994 94.2 3.3
11.700-9.550 0.0530 0.0630 0.995 96.6 3.6
9.550-8.270 0.0690 0.0810 0.992 97.4 3.7
8.270-7.400 0.0810 0.0950 0.990 97.5 3.6
7.400-6.760 0.0990 0.1180 0.984 96.6 3.3
6.760-6.250 0.1300 0.1530 0.976 98.3 3.5
6.250-5.850 0.1520 0.1780 0.970 98.1 3.6
5.850-5.520 0.1700 0.1990 0.964 98.8 3.6
5.520-5.230 0.1920 0.2240 0.955 99.1 3.7
5.230-4.990 0.2250 0.2650 0.936 98.9 3.5
4.990-4.780 0.2780 0.3320 0.891 97.7 3.2
4.780-4.590 0.3400 0.4020 0.863 98.5 3.5
4.590-4.420 0.4170 0.4900 0.813 99.1 3.5
4.420-4.270 0.5070 0.5960 0.749 99.3 3.5
4.270-4.140 0.6420 0.7540 0.657 99.5 3.6
4.140-4.010 0.7900 0.9260 0.564 99.6 3.6
4.010-3.900 0.9560 1.1210 0.460 99.7 3.6
3.900-3.800 1.1650 1.3720 0.373 99.6 3.5
3.800-3.700 1.4370 1.7270 0.249 98.5 3.1