Data quality metrics extracted from 4wiw.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": "ae61bf02a94bc55481dbfcec713fb0dc",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 79.933,
    "b": 346.625,
    "c": 193.442,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97927],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.138
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      {
        "type": "R(pim)",
        "value": 0.045
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      {
        "type": "I/SigI",
        "value": 5.600
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      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 11.600
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    ]
  },
  "refln_shells": [
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      "quality_factors": [
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          "value": 0.983
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        {
          "type": "R(meas)",
          "value": 0.936
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        {
          "type": "R(pim)",
          "value": 0.447
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 10.600
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        {
          "type": "CC(1/2)",
          "value": 0.798
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      ]
    },
    {
      "resolution_limits": [2.540,2.520],
      "number_observations_unique": 2279,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.893
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        {
          "type": "R(meas)",
          "value": 0.857
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        {
          "type": "R(pim)",
          "value": 0.400
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 10.800
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        {
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        {
          "type": "R(meas)",
          "value": 0.807
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        {
          "type": "R(pim)",
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 10.900
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          "type": "CC(1/2)",
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.769
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        {
          "type": "R(meas)",
          "value": 0.809
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        {
          "type": "R(pim)",
          "value": 0.378
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 11.200
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        {
          "type": "CC(1/2)",
          "value": 0.854
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      ]
    },
    {
      "resolution_limits": [2.610,2.590],
      "number_observations_unique": 2267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.771
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        {
          "type": "R(meas)",
          "value": 0.706
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        {
          "type": "R(pim)",
          "value": 0.353
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 11.300
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        {
          "type": "CC(1/2)",
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      ]
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      "quality_factors": [
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        {
          "type": "R(pim)",
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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        {
          "type": "Completeness",
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        {
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          "type": "CC(1/2)",
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      "quality_factors": [
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          "type": "R(merge)",
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        {
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        {
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        {
          "type": "Redundancy",
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        {
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      "quality_factors": [
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          "type": "R(meas)",
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        {
          "type": "R(pim)",
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          "type": "Completeness",
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          "type": "Redundancy",
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          "type": "CC(1/2)",
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      "quality_factors": [
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          "type": "R(pim)",
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        {
          "type": "Completeness",
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          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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      "quality_factors": [
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          "type": "R(merge)",
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        {
          "type": "R(meas)",
          "value": 0.355
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        {
          "type": "R(pim)",
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
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          "type": "CC(1/2)",
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      "quality_factors": [
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          "type": "R(merge)",
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        {
          "type": "R(pim)",
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          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [5.380,5.000],
      "number_observations_unique": 2343,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.930,5.380],
      "number_observations_unique": 2331,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [6.780,5.930],
      "number_observations_unique": 2382,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [8.540,6.780],
      "number_observations_unique": 2374,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [50.000,8.540],
      "number_observations_unique": 2489,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 11.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.540
High resolution limit [Å] 2.500 8.540 2.520
R(merge) 0.1340 - 0.8930
R(meas) 0.1380 - 0.8570
R(pim) 0.0450 0.0210 0.4000
CC(1/2) - 0.995 0.851
Completeness [%] 99.9 98.5 100.0
Multiplicity 11.6 11.3 10.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-8.540 - - 0.0210 0.995 98.5 11.3
8.540-6.780 - - 0.0220 0.996 100.0 12.1
6.780-5.930 - - 0.0250 0.994 100.0 11.8
5.930-5.380 - - 0.0260 0.995 100.0 11.7
5.380-5.000 - - 0.0270 0.995 100.0 11.4
5.000-4.700 - - 0.0290 0.994 100.0 11.6
4.700-4.470 0.0710 - 0.0310 0.995 100.0 11.5
4.470-4.270 0.0720 0.0740 0.0340 0.994 99.9 11.5
4.270-4.110 0.0800 0.0750 0.0360 0.993 100.0 11.6
4.110-3.970 0.0840 0.0840 0.0390 0.992 100.0 11.7
3.970-3.840 0.0860 0.0880 0.0410 0.991 100.0 11.7
3.840-3.730 0.0910 0.0910 0.0450 0.992 100.0 11.8
3.730-3.640 0.0970 0.0950 0.0470 0.990 100.0 11.8
3.640-3.550 0.1050 0.1020 0.0510 0.989 100.0 11.8
3.550-3.470 0.1140 0.1110 0.0560 0.991 100.0 11.9
3.470-3.390 0.1210 0.1190 0.0640 0.986 100.0 11.8
3.390-3.320 0.1300 0.1280 0.0670 0.984 100.0 11.9
3.320-3.260 0.1420 0.1370 0.0680 0.986 100.0 11.7
3.260-3.200 0.1480 0.1490 0.0780 0.985 100.0 11.8
3.200-3.150 0.1620 0.1560 0.0870 0.982 100.0 11.8
3.150-3.100 0.1790 0.1700 0.0930 0.981 100.0 11.8
3.100-3.050 0.2030 0.1880 0.1050 0.974 100.0 11.8
3.050-3.010 0.2140 0.2130 0.1160 0.976 100.0 11.7
3.010-2.960 0.2160 0.2240 0.1390 0.962 100.0 11.8
2.960-2.920 0.2500 0.2270 0.1450 0.961 100.0 11.7
2.920-2.890 0.2790 0.2620 0.1570 0.964 100.0 11.7
2.890-2.850 0.2980 0.2920 0.1770 0.952 100.0 11.8
2.850-2.820 0.3380 0.3130 0.1850 0.943 100.0 11.6
2.820-2.780 0.3730 0.3550 0.2080 0.946 100.0 11.7
2.780-2.750 0.4460 0.3920 0.2380 0.925 100.0 11.7
2.750-2.720 0.4650 0.4680 0.2390 0.924 100.0 11.6
2.720-2.690 0.5060 0.4880 0.2540 0.912 100.0 11.6
2.690-2.670 0.5760 0.5300 0.2760 0.904 100.0 11.7
2.670-2.640 0.5930 0.6030 0.3060 0.886 100.0 11.5
2.640-2.610 0.6740 0.6220 0.3460 0.856 99.9 11.4
2.610-2.590 0.7710 0.7060 0.3530 0.870 100.0 11.3
2.590-2.570 0.7690 0.8090 0.3780 0.854 99.9 11.2
2.570-2.540 0.8170 0.8070 0.4230 0.817 100.0 10.9
2.540-2.520 0.8930 0.8570 0.4000 0.851 100.0 10.8
2.520-2.500 0.9830 0.9360 0.4470 0.798 100.0 10.6