Data quality metrics extracted from 8ect.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": "06c3a2664a80abef0299e4aede553ed8",
  "space_group_name": "P 1",
  "unit_cell": {
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    "b": 49.94,
    "c": 92.65,
    "alpha": 92.67,
    "beta": 102.92,
    "gamma": 108.20
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 887230,
    "number_observations_unique": 92651,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 12.930
      },
      {
        "type": "Completeness",
        "value": 96.800
      },
      {
        "type": "Redundancy",
        "value": 9.576
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [1.640,1.600],
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      "number_observations_unique": 6731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.237
        },
        {
          "type": "R(meas)",
          "value": 1.331
        },
        {
          "type": "I/SigI",
          "value": 1.560
        },
        {
          "type": "Completeness",
          "value": 94.600
        },
        {
          "type": "Redundancy",
          "value": 7.291
        },
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.640],
      "number_observations": 47948,
      "number_observations_unique": 6553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.978
        },
        {
          "type": "R(meas)",
          "value": 1.052
        },
        {
          "type": "I/SigI",
          "value": 1.940
        },
        {
          "type": "Completeness",
          "value": 94.800
        },
        {
          "type": "Redundancy",
          "value": 7.317
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    },
    {
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      "number_observations_unique": 6388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.792
        },
        {
          "type": "R(meas)",
          "value": 0.854
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 95.400
        },
        {
          "type": "Redundancy",
          "value": 7.191
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        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.740],
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      "number_observations_unique": 6257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.621
        },
        {
          "type": "R(meas)",
          "value": 0.671
        },
        {
          "type": "I/SigI",
          "value": 3.020
        },
        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "Redundancy",
          "value": 7.025
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.790],
      "number_observations": 59373,
      "number_observations_unique": 6099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.656
        },
        {
          "type": "R(meas)",
          "value": 0.692
        },
        {
          "type": "I/SigI",
          "value": 3.850
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 9.735
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.850],
      "number_observations": 62692,
      "number_observations_unique": 5879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.518
        },
        {
          "type": "R(meas)",
          "value": 0.544
        },
        {
          "type": "I/SigI",
          "value": 5.090
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 10.664
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        {
          "type": "CC(1/2)",
          "value": 0.971
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      ]
    },
    {
      "resolution_limits": [1.980,1.910],
      "number_observations": 61871,
      "number_observations_unique": 5664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "R(meas)",
          "value": 0.401
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        {
          "type": "I/SigI",
          "value": 6.740
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 10.924
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        {
          "type": "CC(1/2)",
          "value": 0.986
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      ]
    },
    {
      "resolution_limits": [2.070,1.980],
      "number_observations": 59780,
      "number_observations_unique": 5496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(meas)",
          "value": 0.304
        },
        {
          "type": "I/SigI",
          "value": 8.570
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        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 10.877
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        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [2.160,2.070],
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      "number_observations_unique": 5263,
      "quality_factors": [
        {
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          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 10.650
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 10.662
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
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      ]
    },
    {
      "resolution_limits": [2.260,2.160],
      "number_observations": 51328,
      "number_observations_unique": 5039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "R(meas)",
          "value": 0.189
        },
        {
          "type": "I/SigI",
          "value": 12.500
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 10.186
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        {
          "type": "CC(1/2)",
          "value": 0.994
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      ]
    },
    {
      "resolution_limits": [2.390,2.260],
      "number_observations": 50304,
      "number_observations_unique": 4861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.153
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        {
          "type": "I/SigI",
          "value": 14.880
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 10.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.390],
      "number_observations": 50069,
      "number_observations_unique": 4530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "R(meas)",
          "value": 0.126
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        {
          "type": "I/SigI",
          "value": 17.860
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        {
          "type": "Completeness",
          "value": 97.700
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        {
          "type": "Redundancy",
          "value": 11.053
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [2.700,2.530],
      "number_observations": 47312,
      "number_observations_unique": 4309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
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        {
          "type": "R(meas)",
          "value": 0.105
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        {
          "type": "I/SigI",
          "value": 20.880
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        {
          "type": "Completeness",
          "value": 98.200
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        {
          "type": "Redundancy",
          "value": 10.980
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        {
          "type": "CC(1/2)",
          "value": 0.998
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    {
      "resolution_limits": [2.920,2.700],
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      "number_observations_unique": 4074,
      "quality_factors": [
        {
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          "value": 0.082
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        {
          "type": "R(meas)",
          "value": 0.086
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        {
          "type": "I/SigI",
          "value": 24.560
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        {
          "type": "Completeness",
          "value": 98.000
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        {
          "type": "Redundancy",
          "value": 10.761
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [3.200,2.920],
      "number_observations": 36606,
      "number_observations_unique": 3671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
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        {
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          "value": 0.074
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        {
          "type": "I/SigI",
          "value": 27.740
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        {
          "type": "Completeness",
          "value": 98.600
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        {
          "type": "Redundancy",
          "value": 9.972
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        {
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      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 32.400
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 9.836
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        {
          "type": "CC(1/2)",
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      ]
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    {
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      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 37.590
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        {
          "type": "Completeness",
          "value": 98.800
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        {
          "type": "Redundancy",
          "value": 10.662
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        {
          "type": "CC(1/2)",
          "value": 0.999
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    {
      "resolution_limits": [5.060,4.130],
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      "number_observations_unique": 2519,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.048
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        {
          "type": "R(meas)",
          "value": 0.050
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        {
          "type": "I/SigI",
          "value": 39.610
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        {
          "type": "Completeness",
          "value": 98.900
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        {
          "type": "Redundancy",
          "value": 10.471
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [7.160,5.060],
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      "number_observations_unique": 1949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
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        {
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          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 36.990
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 9.451
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [37.430,7.160],
      "number_observations": 11643,
      "number_observations_unique": 1049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
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        {
          "type": "R(meas)",
          "value": 0.057
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        {
          "type": "I/SigI",
          "value": 43.880
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        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 11.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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