Data quality metrics extracted from 5sji.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": "11c0b641f58f3b37c784b3daba518668",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.42,
    "b": 135.42,
    "c": 235.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 111648,
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        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 15.570
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 3.840
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 8223,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.847
        },
        {
          "type": "R(meas)",
          "value": 0.994
        },
        {
          "type": "I/SigI",
          "value": 1.590
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.607
        },
        {
          "type": "CC(1/2)",
          "value": 0.576
        }
      ]
    },
    {
      "resolution_limits": [2.090,2.030],
      "number_observations": 30972,
      "number_observations_unique": 8076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.619
        },
        {
          "type": "R(meas)",
          "value": 0.718
        },
        {
          "type": "I/SigI",
          "value": 2.260
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
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        },
        {
          "type": "CC(1/2)",
          "value": 0.723
        }
      ]
    },
    {
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      "number_observations_unique": 7759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.513
        },
        {
          "type": "R(meas)",
          "value": 0.594
        },
        {
          "type": "I/SigI",
          "value": 2.710
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.839
        },
        {
          "type": "CC(1/2)",
          "value": 0.812
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.150],
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      "number_observations_unique": 7648,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "R(meas)",
          "value": 0.413
        },
        {
          "type": "I/SigI",
          "value": 3.860
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.845
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.210],
      "number_observations": 28084,
      "number_observations_unique": 7304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.302
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 4.550
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.845
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.290],
      "number_observations": 27437,
      "number_observations_unique": 7120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 5.840
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.854
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        {
          "type": "CC(1/2)",
          "value": 0.954
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      ]
    },
    {
      "resolution_limits": [2.460,2.370],
      "number_observations": 26615,
      "number_observations_unique": 6906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.216
        },
        {
          "type": "I/SigI",
          "value": 7.190
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        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.854
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.460],
      "number_observations": 25564,
      "number_observations_unique": 6616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 8.770
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
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      ]
    },
    {
      "resolution_limits": [2.670,2.560],
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      "number_observations_unique": 6355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 11.260
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        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.864
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        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
      "resolution_limits": [2.800,2.670],
      "number_observations": 23533,
      "number_observations_unique": 6081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 13.380
        },
        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 3.870
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        {
          "type": "CC(1/2)",
          "value": 0.991
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      ]
    },
    {
      "resolution_limits": [2.950,2.800],
      "number_observations": 22434,
      "number_observations_unique": 5794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
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        {
          "type": "R(meas)",
          "value": 0.084
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        {
          "type": "I/SigI",
          "value": 16.700
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.872
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        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.950],
      "number_observations": 21283,
      "number_observations_unique": 5485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.067
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        {
          "type": "I/SigI",
          "value": 20.460
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.880
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [3.350,3.130],
      "number_observations": 19854,
      "number_observations_unique": 5134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
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        {
          "type": "R(meas)",
          "value": 0.050
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        {
          "type": "I/SigI",
          "value": 26.400
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.867
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [3.610,3.350],
      "number_observations": 18452,
      "number_observations_unique": 4765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
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        {
          "type": "R(meas)",
          "value": 0.038
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        {
          "type": "I/SigI",
          "value": 33.380
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 3.872
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [3.960,3.610],
      "number_observations": 17126,
      "number_observations_unique": 4430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
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        {
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          "value": 0.033
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        {
          "type": "I/SigI",
          "value": 38.650
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.866
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        {
          "type": "CC(1/2)",
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    {
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      "number_observations_unique": 3992,
      "quality_factors": [
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          "value": 0.026
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        {
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          "value": 0.030
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        {
          "type": "I/SigI",
          "value": 43.110
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.866
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        {
          "type": "CC(1/2)",
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      ]
    },
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      "number_observations_unique": 3488,
      "quality_factors": [
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          "value": 0.025
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        {
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        {
          "type": "I/SigI",
          "value": 46.220
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 3.869
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [6.260,5.110],
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      "number_observations_unique": 2973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
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        {
          "type": "R(meas)",
          "value": 0.028
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        {
          "type": "I/SigI",
          "value": 45.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [8.850,6.260],
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      "number_observations_unique": 2284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.025
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        {
          "type": "I/SigI",
          "value": 49.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.884
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [41.560,8.850],
      "number_observations": 4579,
      "number_observations_unique": 1215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "R(meas)",
          "value": 0.024
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        {
          "type": "I/SigI",
          "value": 54.420
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        {
          "type": "Completeness",
          "value": 95.700
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        {
          "type": "Redundancy",
          "value": 3.769
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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