Data quality metrics extracted from 6wjs.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": "fa2cb2bf01a209b06bf4438ab8ab9156",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 73.579,
    "b": 35.950,
    "c": 203.088,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.60747],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.790,3.800],
    "number_observations": 17520,
    "number_observations_unique": 5669,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.147
      },
      {
        "type": "R(meas)",
        "value": 0.177
      },
      {
        "type": "I/SigI",
        "value": 5.160
      },
      {
        "type": "Completeness",
        "value": 97.500
      },
      {
        "type": "Redundancy",
        "value": 3.090
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.900,3.800],
      "number_observations": 1370,
      "number_observations_unique": 425,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.527
        },
        {
          "type": "R(meas)",
          "value": 1.832
        },
        {
          "type": "I/SigI",
          "value": 0.860
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.224
        },
        {
          "type": "CC(1/2)",
          "value": 0.183
        }
      ]
    },
    {
      "resolution_limits": [4.010,3.900],
      "number_observations": 1289,
      "number_observations_unique": 400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.655
        },
        {
          "type": "R(meas)",
          "value": 1.978
        },
        {
          "type": "I/SigI",
          "value": 0.730
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.223
        },
        {
          "type": "CC(1/2)",
          "value": 0.239
        }
      ]
    },
    {
      "resolution_limits": [4.120,4.010],
      "number_observations": 1259,
      "number_observations_unique": 383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.179
        },
        {
          "type": "R(meas)",
          "value": 1.408
        },
        {
          "type": "I/SigI",
          "value": 1.010
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.287
        },
        {
          "type": "CC(1/2)",
          "value": 0.317
        }
      ]
    },
    {
      "resolution_limits": [4.250,4.120],
      "number_observations": 1184,
      "number_observations_unique": 359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.086
        },
        {
          "type": "R(meas)",
          "value": 1.297
        },
        {
          "type": "I/SigI",
          "value": 1.120
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.298
        },
        {
          "type": "CC(1/2)",
          "value": 0.457
        }
      ]
    },
    {
      "resolution_limits": [4.390,4.250],
      "number_observations": 1197,
      "number_observations_unique": 384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.981
        },
        {
          "type": "R(meas)",
          "value": 1.177
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.117
        },
        {
          "type": "CC(1/2)",
          "value": 0.410
        }
      ]
    },
    {
      "resolution_limits": [4.540,4.390],
      "number_observations": 1077,
      "number_observations_unique": 364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "R(meas)",
          "value": 0.881
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 2.959
        },
        {
          "type": "CC(1/2)",
          "value": 0.627
        }
      ]
    },
    {
      "resolution_limits": [4.710,4.540],
      "number_observations": 941,
      "number_observations_unique": 314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.691
        },
        {
          "type": "R(meas)",
          "value": 0.830
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 2.997
        },
        {
          "type": "CC(1/2)",
          "value": 0.648
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.710],
      "number_observations": 1115,
      "number_observations_unique": 343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.519
        },
        {
          "type": "R(meas)",
          "value": 0.624
        },
        {
          "type": "I/SigI",
          "value": 2.420
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.251
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    },
    {
      "resolution_limits": [5.120,4.910],
      "number_observations": 1056,
      "number_observations_unique": 338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 3.250
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.124
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    },
    {
      "resolution_limits": [5.370,5.120],
      "number_observations": 941,
      "number_observations_unique": 293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.371
        },
        {
          "type": "R(meas)",
          "value": 0.446
        },
        {
          "type": "I/SigI",
          "value": 3.330
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.212
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    },
    {
      "resolution_limits": [5.670,5.370],
      "number_observations": 930,
      "number_observations_unique": 295,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "R(meas)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 4.040
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [6.010,5.670],
      "number_observations": 900,
      "number_observations_unique": 290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "R(meas)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 4.630
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.103
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [6.420,6.010],
      "number_observations": 761,
      "number_observations_unique": 241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.240
        },
        {
          "type": "I/SigI",
          "value": 6.090
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 3.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [6.940,6.420],
      "number_observations": 644,
      "number_observations_unique": 238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 6.050
        },
        {
          "type": "Completeness",
          "value": 93.000
        },
        {
          "type": "Redundancy",
          "value": 2.706
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [7.600,6.940],
      "number_observations": 708,
      "number_observations_unique": 234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 10.120
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.026
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [8.500,7.600],
      "number_observations": 652,
      "number_observations_unique": 210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 12.210
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [9.810,8.500],
      "number_observations": 521,
      "number_observations_unique": 186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 14.550
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 2.801
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [12.020,9.810],
      "number_observations": 448,
      "number_observations_unique": 170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 23.000
        },
        {
          "type": "Completeness",
          "value": 92.900
        },
        {
          "type": "Redundancy",
          "value": 2.635
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [17.000,12.020],
      "number_observations": 332,
      "number_observations_unique": 124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 30.130
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "Redundancy",
          "value": 2.677
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [41.790,17.000],
      "number_observations": 195,
      "number_observations_unique": 78,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "R(meas)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 32.360
        },
        {
          "type": "Completeness",
          "value": 86.700
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 41.790 41.790 4.010
High resolution limit [Å] 3.800 17.000 3.900
R(merge) 0.1470 0.0150 1.6550
R(meas) 0.1770 0.0190 1.9780
CC(1/2) 0.999 0.999 0.239
Completeness [%] 97.5 86.7 99.5
Multiplicity 4.1 2.5 3.2


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
41.790-17.000 0.0150 0.0190 0.999 86.7 2.5
17.000-12.020 0.0240 0.0300 0.999 93.2 2.7
12.020-9.810 0.0340 0.0420 0.998 92.9 2.6
9.810-8.500 0.0670 0.0830 0.994 96.4 2.8
8.500-7.600 0.0890 0.1080 0.991 98.1 3.1
7.600-6.940 0.1060 0.1290 0.985 99.2 3.0
6.940-6.420 0.1810 0.2220 0.965 93.0 2.7
6.420-6.010 0.2010 0.2400 0.969 95.3 3.2
6.010-5.670 0.2700 0.3250 0.899 97.0 3.1
5.670-5.370 0.3350 0.4040 0.878 99.3 3.2
5.370-5.120 0.3710 0.4460 0.870 98.3 3.2
5.120-4.910 0.3770 0.4540 0.798 99.1 3.1
4.910-4.710 0.5190 0.6240 0.769 98.8 3.3
4.710-4.540 0.6910 0.8300 0.648 97.5 3.0
4.540-4.390 0.7320 0.8810 0.627 96.3 3.0
4.390-4.250 0.9810 1.1770 0.410 99.5 3.1
4.250-4.120 1.0860 1.2970 0.457 98.4 3.3
4.120-4.010 1.1790 1.4080 0.317 97.7 3.3
4.010-3.900 1.6550 1.9780 0.239 99.5 3.2
3.900-3.800 1.5270 1.8320 0.183 99.3 3.2