Data quality metrics extracted from 5ndj.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": "832a0e3ced12895ffa602f711f8b2826",
  "space_group_name": "P 21 21 21",
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    "b": 447.98,
    "c": 620.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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      },
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        "type": "R(meas)",
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      {
        "type": "I/SigI",
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      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 45.357
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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        {
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        {
          "type": "I/SigI",
          "value": 1.250
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        {
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          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.066
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        {
          "type": "CC(1/2)",
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      ]
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    {
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        {
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        {
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        {
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        {
          "type": "Completeness",
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        },
        {
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          "value": 49.710
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      ]
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        {
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        {
          "type": "I/SigI",
          "value": 3.850
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        {
          "type": "Completeness",
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        },
        {
          "type": "Redundancy",
          "value": 48.869
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
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      ]
    },
    {
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.177
        },
        {
          "type": "R(meas)",
          "value": 1.189
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        {
          "type": "I/SigI",
          "value": 4.980
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 48.252
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        {
          "type": "CC(1/2)",
          "value": 0.930
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      ]
    },
    {
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      "quality_factors": [
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        {
          "type": "I/SigI",
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        {
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        {
          "type": "Redundancy",
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        {
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      ]
    },
    {
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      "quality_factors": [
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        {
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        {
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          "value": 9.420
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        {
          "type": "Completeness",
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        },
        {
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          "value": 51.324
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        {
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      ]
    },
    {
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      "quality_factors": [
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        },
        {
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        {
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        {
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        {
          "type": "Redundancy",
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        {
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      ]
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      ]
    },
    {
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      "quality_factors": [
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
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          "type": "CC(1/2)",
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      ]
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      "quality_factors": [
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          "value": 0.251
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 21.670
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 47.498
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
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    {
      "resolution_limits": [7.000,6.000],
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      "number_observations_unique": 53650,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
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        {
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        {
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        {
          "type": "I/SigI",
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        {
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      ]
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        {
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          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 47.544
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        {
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      ]
    },
    {
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      "quality_factors": [
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        {
          "type": "I/SigI",
          "value": 40.320
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        {
          "type": "Completeness",
          "value": 98.400
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        {
          "type": "Redundancy",
          "value": 17.548
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        {
          "type": "CC(1/2)",
          "value": 1.000
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      ]
    },
    {
      "resolution_limits": [200.000,104.605],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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