Data quality metrics extracted from 8ab3.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "78d2400df18de9726560f4da188eb047",
  "space_group_name": "P 1 21 1",
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    "b": 111.504,
    "c": 101.793,
    "alpha": 90.00,
    "beta": 99.78,
    "gamma": 90.00
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 46537,
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        "value": 0.1946
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      {
        "type": "R(meas)",
        "value": 0.2220
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        "type": "R(pim)",
        "value": 0.1050
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      {
        "type": "I/SigI",
        "value": 5.62
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      {
        "type": "Completeness",
        "value": 99.3
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      {
        "type": "Redundancy",
        "value": 4.31
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      {
        "type": "CC(1/2)",
        "value": 0.983
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      {
        "type": "CompletenessAno",
        "value": 95.8
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      {
        "type": "RedundancyAno",
        "value": 2.23
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      {
        "type": "CC(ano)",
        "value": -0.127
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      {
        "type": "SigAno",
        "value": 0.745
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    ]
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      "number_observations_unique": 2324,
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          "value": 0.0809
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          "type": "R(meas)",
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        {
          "type": "R(pim)",
          "value": 0.0446
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 96.1
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        {
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        {
          "type": "CC(1/2)",
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        {
          "type": "RedundancyAno",
          "value": 2.13
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        {
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        {
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 4.05
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        {
          "type": "CC(1/2)",
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        {
          "type": "CompletenessAno",
          "value": 95.3
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        {
          "type": "RedundancyAno",
          "value": 2.12
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        {
          "type": "CC(ano)",
          "value": -0.108
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        {
          "type": "SigAno",
          "value": 0.692
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        {
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          "type": "R(meas)",
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        {
          "type": "R(pim)",
          "value": 0.0715
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        {
          "type": "I/SigI",
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          "type": "CC(1/2)",
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          "type": "CompletenessAno",
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        {
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      "quality_factors": [
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          "type": "R(pim)",
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Redundancy",
          "value": 4.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        },
        {
          "type": "CompletenessAno",
          "value": 98.0
        },
        {
          "type": "RedundancyAno",
          "value": 2.33
        },
        {
          "type": "CC(ano)",
          "value": -0.030
        },
        {
          "type": "SigAno",
          "value": 0.731
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 100.314 7.100 2.661
High resolution limit [Å] 2.616 5.636 2.616
R(merge) 0.1946 0.1207 0.7544
R(meas) 0.2220 0.1390 0.8525
R(pim) 0.1050 0.0675 0.3914
CC(1/2) 0.983 0.981 0.726
CC(ano) -0.127 -0.108 -0.030
|DANO|/σ(DANO) 0.745 0.692 0.731
Completeness [%] 99.3 99.5 100.0
Multiplicity 4.3 5.1 4.6
Anomalous completeness [%] 95.8 95.3 98.0
Anomalous multiplicity 2.2 2.1 2.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) CC(ano) |DANO|/σ(DANO) Completeness [%] Multiplicity Anomalous completeness [%] Anomalous multiplicity
100.314-7.100 0.0809 0.0929 0.0446 0.991 -0.371 0.584 96.1 4.0 94.0 2.1
7.100-5.636 0.1207 0.1390 0.0675 0.981 -0.108 0.692 99.5 5.1 95.3 2.1
5.636-4.923 0.1258 0.1453 0.0715 0.983 -0.095 0.725 98.9 3.9 93.2 2.0
4.923-4.473 0.1247 0.1437 0.0701 0.980 -0.160 0.740 99.1 4.0 96.5 3.1
4.473-4.153 0.1235 0.1419 0.0686 0.980 -0.086 0.750 99.2 4.1 96.8 2.1
4.153-3.908 0.1359 0.1558 0.0749 0.981 -0.099 0.789 98.9 4.2 96.4 2.2
3.908-3.712 0.1477 0.1688 0.0806 0.980 -0.175 0.755 98.9 4.2 95.7 2.2
3.712-3.550 0.1841 0.2102 0.0998 0.972 -0.070 0.798 99.2 4.3 96.3 2.2
3.550-3.414 0.2073 0.2361 0.1114 0.966 -0.068 0.766 99.4 4.3 95.5 2.2
3.414-3.296 0.2425 0.2761 0.1302 0.962 -0.073 0.793 99.5 4.3 95.3 2.2
3.296-3.193 0.2748 0.3123 0.1461 0.952 -0.095 0.761 99.3 4.4 94.3 2.3
3.193-3.102 0.3205 0.3638 0.1694 0.943 -0.065 0.771 99.8 4.4 94.6 2.3
3.102-3.020 0.3794 0.4305 0.2001 0.916 -0.079 0.772 99.7 4.4 95.6 2.3
3.020-2.946 0.4164 0.4719 0.2188 0.883 -0.077 0.763 99.7 4.5 95.9 2.3
2.946-2.879 0.4361 0.4939 0.2283 0.909 -0.079 0.738 99.7 4.5 95.9 2.3
2.879-2.818 0.4858 0.5498 0.2537 0.892 -0.022 0.749 99.7 4.5 96.7 2.3
2.818-2.762 0.5589 0.6330 0.2927 0.846 -0.088 0.753 99.8 4.5 96.2 2.3
2.762-2.710 0.6355 0.7182 0.3300 0.794 -0.048 0.739 99.7 4.6 96.5 2.4
2.710-2.661 0.6769 0.7658 0.3529 0.749 -0.067 0.723 99.9 4.5 96.5 2.3
2.661-2.616 0.7544 0.8525 0.3914 0.726 -0.030 0.731 100.0 4.6 98.0 2.3