Data quality metrics extracted from 7a3l.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": "6abfdddba121eefcab982fcb58d4eea8",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
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    "b": 252.779,
    "c": 261.235,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.070,2.800],
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    "number_observations_unique": 132897,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 18.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 8.418
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 9801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.291
        },
        {
          "type": "R(meas)",
          "value": 1.373
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.667
        },
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.870],
      "number_observations": 80513,
      "number_observations_unique": 9422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.927
        },
        {
          "type": "R(meas)",
          "value": 0.987
        },
        {
          "type": "I/SigI",
          "value": 2.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.545
        },
        {
          "type": "CC(1/2)",
          "value": 0.833
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      ]
    },
    {
      "resolution_limits": [3.040,2.950],
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      "number_observations_unique": 9721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.657
        },
        {
          "type": "R(meas)",
          "value": 0.700
        },
        {
          "type": "I/SigI",
          "value": 3.920
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.377
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
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      ]
    },
    {
      "resolution_limits": [3.140,3.040],
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      "number_observations_unique": 9625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.475
        },
        {
          "type": "R(meas)",
          "value": 0.508
        },
        {
          "type": "I/SigI",
          "value": 5.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.957
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.140],
      "number_observations": 80059,
      "number_observations_unique": 9440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.333
        },
        {
          "type": "R(meas)",
          "value": 0.355
        },
        {
          "type": "I/SigI",
          "value": 7.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.481
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.260],
      "number_observations": 83353,
      "number_observations_unique": 9445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.254
        },
        {
          "type": "I/SigI",
          "value": 9.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.825
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
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      ]
    },
    {
      "resolution_limits": [3.550,3.390],
      "number_observations": 84325,
      "number_observations_unique": 9653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 12.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.736
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
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      ]
    },
    {
      "resolution_limits": [3.740,3.550],
      "number_observations": 81783,
      "number_observations_unique": 9446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(meas)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 13.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.658
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
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      ]
    },
    {
      "resolution_limits": [3.980,3.740],
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      "number_observations_unique": 9516,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 18.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.374
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.290,3.980],
      "number_observations": 76031,
      "number_observations_unique": 9415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 27.560
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.290],
      "number_observations": 82389,
      "number_observations_unique": 9425,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 35.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.742
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.440,4.740],
      "number_observations": 79673,
      "number_observations_unique": 9408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 38.250
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        {
          "type": "Completeness",
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        },
        {
          "type": "Redundancy",
          "value": 8.469
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        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.630,5.440],
      "number_observations": 64276,
      "number_observations_unique": 8218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
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        {
          "type": "R(meas)",
          "value": 0.049
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        {
          "type": "I/SigI",
          "value": 35.950
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 7.821
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [8.400,6.630],
      "number_observations": 43901,
      "number_observations_unique": 5216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
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        {
          "type": "R(meas)",
          "value": 0.040
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        {
          "type": "I/SigI",
          "value": 45.050
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.417
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [10.790,8.400],
      "number_observations": 21135,
      "number_observations_unique": 2691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.031
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        {
          "type": "I/SigI",
          "value": 55.550
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 7.854
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 1652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
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        {
          "type": "R(meas)",
          "value": 0.027
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        {
          "type": "I/SigI",
          "value": 63.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.456
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [25.200,15.740],
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      "number_observations_unique": 630,
      "quality_factors": [
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          "type": "R(merge)",
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        {
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          "value": 0.027
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        {
          "type": "I/SigI",
          "value": 67.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 8.056
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [44.070,25.200],
      "number_observations": 1201,
      "number_observations_unique": 173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 65.520
        },
        {
          "type": "Completeness",
          "value": 78.600
        },
        {
          "type": "Redundancy",
          "value": 6.942
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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