Data quality metrics extracted from 4doj.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": "8e065bfc26c743b5c31db6202447c1c4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 117.44,
    "b": 129.32,
    "c": 184.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.8020,3.210],
    "number_observations_unique": 38765,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 14.770
      },
      {
        "type": "Completeness",
        "value": 82.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.290,3.210],
      "number_observations": 3249,
      "number_observations_unique": 258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 11.630
        },
        {
          "type": "Completeness",
          "value": 7.500
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.290],
      "number_observations": 9128,
      "number_observations_unique": 781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 9.230
        },
        {
          "type": "Completeness",
          "value": 23.400
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.380],
      "number_observations": 17453,
      "number_observations_unique": 1518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "I/SigI",
          "value": 5.990
        },
        {
          "type": "Completeness",
          "value": 46.700
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.480],
      "number_observations": 30856,
      "number_observations_unique": 2700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.446
        },
        {
          "type": "I/SigI",
          "value": 4.840
        },
        {
          "type": "Completeness",
          "value": 85.300
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.580],
      "number_observations": 35638,
      "number_observations_unique": 3054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 4.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.830,3.700],
      "number_observations": 34733,
      "number_observations_unique": 2953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 6.250
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.980,3.830],
      "number_observations": 33974,
      "number_observations_unique": 2868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 7.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.140,3.980],
      "number_observations": 32447,
      "number_observations_unique": 2733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 9.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.320,4.140],
      "number_observations": 31539,
      "number_observations_unique": 2651,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 11.810
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.530,4.320],
      "number_observations": 30244,
      "number_observations_unique": 2546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 14.160
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.780,4.530],
      "number_observations": 28494,
      "number_observations_unique": 2409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 16.830
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.070,4.780],
      "number_observations": 27325,
      "number_observations_unique": 2303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 18.390
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.420,5.070],
      "number_observations": 25575,
      "number_observations_unique": 2164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 19.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.850,5.420],
      "number_observations": 23695,
      "number_observations_unique": 2025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 21.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.410,5.850],
      "number_observations": 21534,
      "number_observations_unique": 1858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 23.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [7.170,6.410],
      "number_observations": 19244,
      "number_observations_unique": 1709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 27.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.280,7.170],
      "number_observations": 16297,
      "number_observations_unique": 1513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 30.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.140,8.280],
      "number_observations": 14345,
      "number_observations_unique": 1295,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 32.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [14.340,10.140],
      "number_observations": 10658,
      "number_observations_unique": 1004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 32.320
        },
        {
          "type": "Completeness",
          "value": 97.700
        }
      ]
    },
    {
      "resolution_limits": [29.8020,14.340],
      "number_observations": 3787,
      "number_observations_unique": 423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 28.930
        },
        {
          "type": "Completeness",
          "value": 69.900
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.802 29.802 3.380
High resolution limit [Å] 3.210 14.340 3.290
R(merge) 0.1060 0.0660 0.2340
Completeness [%] 82.6 69.9 23.4


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

Resolution [Å] R(merge) Completeness [%]
29.802-14.340 0.0660 69.9
14.340-10.140 0.0670 97.7
10.140-8.280 0.0740 100.0
8.280-7.170 0.0790 100.0
7.170-6.410 0.0880 100.0
6.410-5.850 0.0960 99.9
5.850-5.420 0.1040 100.0
5.420-5.070 0.1080 100.0
5.070-4.780 0.1150 100.0
4.780-4.530 0.1220 99.9
4.530-4.320 0.1440 99.9
4.320-4.140 0.1630 99.8
4.140-3.980 0.1990 99.9
3.980-3.830 0.2660 99.9
3.830-3.700 0.3320 99.9
3.700-3.580 0.4290 100.0
3.580-3.480 0.4460 85.3
3.480-3.380 0.3730 46.7
3.380-3.290 0.2340 23.4
3.290-3.210 0.2010 7.5