Data quality metrics extracted from 4j3w.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": "19ac279ea390df8ff959bb8d86bf076e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 168.85,
    "b": 80.94,
    "c": 58.29,
    "alpha": 90.00,
    "beta": 100.82,
    "gamma": 90.00
  },
  "wavelengths": [1.04000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [82.924,1.666],
    "number_observations_unique": 89214,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 12.000
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 4.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.740,1.650],
      "number_observations": 42726,
      "number_observations_unique": 10649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.352
        },
        {
          "type": "R(meas)",
          "value": 0.405
        },
        {
          "type": "R(pim)",
          "value": 0.196
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 79.500
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.740],
      "number_observations": 60377,
      "number_observations_unique": 12698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.266
        },
        {
          "type": "R(pim)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 3.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.850],
      "number_observations": 56731,
      "number_observations_unique": 11881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "R(pim)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [2.140,1.980],
      "number_observations": 53202,
      "number_observations_unique": 11077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.128
        },
        {
          "type": "R(pim)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 5.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.140],
      "number_observations": 49275,
      "number_observations_unique": 10228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 6.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.340],
      "number_observations": 44781,
      "number_observations_unique": 9254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "R(pim)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 7.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.620],
      "number_observations": 39671,
      "number_observations_unique": 8178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.900
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.020],
      "number_observations": 33568,
      "number_observations_unique": 6912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 8.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.900
        }
      ]
    },
    {
      "resolution_limits": [5.230,3.700],
      "number_observations": 26101,
      "number_observations_unique": 5383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.800
        }
      ]
    },
    {
      "resolution_limits": [22.825,5.230],
      "number_observations": 13905,
      "number_observations_unique": 2954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 9.000
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 82.924 22.825 1.850
High resolution limit [Å] 1.666 5.230 1.740
R(merge) 0.0790 0.0560 0.2360
R(meas) - 0.0620 0.2660
R(pim) - 0.0270 0.1210
Completeness [%] 97.0 98.7 100.0
Multiplicity 4.7 4.7 4.8


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
22.825-5.230 0.0560 0.0620 0.0270 98.7 4.7
5.230-3.700 0.0620 0.0690 0.0310 100.0 4.8
3.700-3.020 0.0550 0.0620 0.0270 100.0 4.9
3.020-2.620 0.0630 0.0710 0.0310 100.0 4.9
2.620-2.340 0.0750 0.0840 0.0370 100.0 4.8
2.340-2.140 0.0910 0.1020 0.0450 100.0 4.8
2.140-1.980 0.1140 0.1280 0.0570 100.0 4.8
1.980-1.850 0.1550 0.1740 0.0790 100.0 4.8
1.850-1.740 0.2360 0.2660 0.1210 100.0 4.8
1.740-1.650 0.3520 0.4050 0.1960 79.5 4.0