Data quality metrics extracted from 6un0.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": "9398cd42354f5c63dfc25e4fccf5fcaf",
  "space_group_name": "P 63",
  "unit_cell": {
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    "b": 65.891,
    "c": 40.685,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.72929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 88292,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 17.760
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 16.274
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 6469,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.556
        },
        {
          "type": "R(meas)",
          "value": 1.640
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 10.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.527
        }
      ]
    },
    {
      "resolution_limits": [0.900,0.870],
      "number_observations": 76056,
      "number_observations_unique": 6321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.232
        },
        {
          "type": "R(meas)",
          "value": 1.287
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.032
        },
        {
          "type": "CC(1/2)",
          "value": 0.704
        }
      ]
    },
    {
      "resolution_limits": [0.920,0.900],
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      "number_observations_unique": 6204,
      "quality_factors": [
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          "value": 0.997
        },
        {
          "type": "R(meas)",
          "value": 1.039
        },
        {
          "type": "I/SigI",
          "value": 2.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.710
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        {
          "type": "CC(1/2)",
          "value": 0.776
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      ]
    },
    {
      "resolution_limits": [0.950,0.920],
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      "number_observations_unique": 5982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.782
        },
        {
          "type": "R(meas)",
          "value": 0.815
        },
        {
          "type": "I/SigI",
          "value": 3.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.880
        },
        {
          "type": "CC(1/2)",
          "value": 0.862
        }
      ]
    },
    {
      "resolution_limits": [0.980,0.950],
      "number_observations": 74988,
      "number_observations_unique": 5799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.605
        },
        {
          "type": "R(meas)",
          "value": 0.630
        },
        {
          "type": "I/SigI",
          "value": 4.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.931
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [1.020,0.980],
      "number_observations": 80440,
      "number_observations_unique": 5638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        },
        {
          "type": "R(meas)",
          "value": 0.488
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        {
          "type": "I/SigI",
          "value": 5.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.267
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        {
          "type": "CC(1/2)",
          "value": 0.955
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      ]
    },
    {
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      "number_observations_unique": 5406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.380
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        {
          "type": "R(meas)",
          "value": 0.393
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        {
          "type": "I/SigI",
          "value": 7.460
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.012
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        {
          "type": "CC(1/2)",
          "value": 0.975
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      ]
    },
    {
      "resolution_limits": [1.100,1.050],
      "number_observations": 82368,
      "number_observations_unique": 5233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "R(meas)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 10.360
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.740
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        {
          "type": "CC(1/2)",
          "value": 0.986
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      ]
    },
    {
      "resolution_limits": [1.150,1.100],
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      "number_observations_unique": 5002,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.221
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        {
          "type": "R(meas)",
          "value": 0.227
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        {
          "type": "I/SigI",
          "value": 13.450
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 17.301
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        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [1.200,1.150],
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      "number_observations_unique": 4818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "R(meas)",
          "value": 0.188
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        {
          "type": "I/SigI",
          "value": 17.790
        },
        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 20.676
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        {
          "type": "CC(1/2)",
          "value": 0.995
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      ]
    },
    {
      "resolution_limits": [1.270,1.200],
      "number_observations": 93796,
      "number_observations_unique": 4557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.163
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        {
          "type": "I/SigI",
          "value": 20.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.583
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.270],
      "number_observations": 87372,
      "number_observations_unique": 4301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
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        {
          "type": "R(meas)",
          "value": 0.140
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        {
          "type": "I/SigI",
          "value": 22.970
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.314
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [1.440,1.340],
      "number_observations": 77745,
      "number_observations_unique": 4080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
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        {
          "type": "R(meas)",
          "value": 0.120
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        {
          "type": "I/SigI",
          "value": 26.000
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 19.055
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
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    {
      "resolution_limits": [1.550,1.440],
      "number_observations": 80520,
      "number_observations_unique": 3778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
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        {
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          "value": 0.097
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        {
          "type": "I/SigI",
          "value": 33.720
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 21.313
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [1.700,1.550],
      "number_observations": 72990,
      "number_observations_unique": 3484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
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        {
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        {
          "type": "I/SigI",
          "value": 39.240
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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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          "value": 0.063
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        {
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          "value": 0.065
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        {
          "type": "I/SigI",
          "value": 46.650
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 19.918
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    {
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      "number_observations_unique": 2793,
      "quality_factors": [
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          "value": 0.051
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        {
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        {
          "type": "I/SigI",
          "value": 54.860
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [2.690,2.200],
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      "number_observations_unique": 2371,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.047
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        {
          "type": "R(meas)",
          "value": 0.048
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        {
          "type": "I/SigI",
          "value": 62.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.674
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [3.800,2.690],
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      "number_observations_unique": 1845,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
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        {
          "type": "R(meas)",
          "value": 0.043
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        {
          "type": "I/SigI",
          "value": 66.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.914
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
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      ]
    },
    {
      "resolution_limits": [23.360,3.800],
      "number_observations": 21037,
      "number_observations_unique": 1044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
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        {
          "type": "R(meas)",
          "value": 0.041
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        {
          "type": "I/SigI",
          "value": 73.160
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 20.150
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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