Data quality metrics extracted from 7g5e.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": "27fdadf13b92379ace90ccd1774005b2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 91.434,
    "c": 117.975,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99997],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 65678,
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        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.181
      },
      {
        "type": "I/SigI",
        "value": 9.240
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.560
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 4790,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.813
        },
        {
          "type": "R(meas)",
          "value": 1.963
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        {
          "type": "I/SigI",
          "value": 1.270
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.745
        },
        {
          "type": "CC(1/2)",
          "value": 0.447
        }
      ]
    },
    {
      "resolution_limits": [2.070,2.010],
      "number_observations": 31234,
      "number_observations_unique": 4674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.485
        },
        {
          "type": "R(meas)",
          "value": 1.610
        },
        {
          "type": "I/SigI",
          "value": 1.570
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.682
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        {
          "type": "CC(1/2)",
          "value": 0.527
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      ]
    },
    {
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.190
        },
        {
          "type": "R(meas)",
          "value": 1.292
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        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.548
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        {
          "type": "CC(1/2)",
          "value": 0.633
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      ]
    },
    {
      "resolution_limits": [2.190,2.130],
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      "number_observations_unique": 4415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.982
        },
        {
          "type": "R(meas)",
          "value": 1.072
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        {
          "type": "I/SigI",
          "value": 2.350
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.229
        },
        {
          "type": "CC(1/2)",
          "value": 0.712
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.190],
      "number_observations": 26915,
      "number_observations_unique": 4317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.788
        },
        {
          "type": "R(meas)",
          "value": 0.860
        },
        {
          "type": "I/SigI",
          "value": 2.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.235
        },
        {
          "type": "CC(1/2)",
          "value": 0.796
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      ]
    },
    {
      "resolution_limits": [2.340,2.260],
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      "number_observations_unique": 4137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.642
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        {
          "type": "R(meas)",
          "value": 0.696
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        {
          "type": "I/SigI",
          "value": 3.750
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.731
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        {
          "type": "CC(1/2)",
          "value": 0.851
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      ]
    },
    {
      "resolution_limits": [2.430,2.340],
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      "number_observations_unique": 3992,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.541
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        {
          "type": "R(meas)",
          "value": 0.585
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        {
          "type": "I/SigI",
          "value": 4.370
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 6.818
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        {
          "type": "CC(1/2)",
          "value": 0.904
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      ]
    },
    {
      "resolution_limits": [2.530,2.430],
      "number_observations": 26537,
      "number_observations_unique": 3905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.449
        },
        {
          "type": "R(meas)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 5.230
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.796
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        {
          "type": "CC(1/2)",
          "value": 0.934
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      ]
    },
    {
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      "number_observations_unique": 3678,
      "quality_factors": [
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          "value": 0.357
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        {
          "type": "R(meas)",
          "value": 0.387
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        {
          "type": "I/SigI",
          "value": 6.410
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.742
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        {
          "type": "CC(1/2)",
          "value": 0.948
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      ]
    },
    {
      "resolution_limits": [2.770,2.640],
      "number_observations": 23347,
      "number_observations_unique": 3581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "R(meas)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 7.890
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.520
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        {
          "type": "CC(1/2)",
          "value": 0.964
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      ]
    },
    {
      "resolution_limits": [2.920,2.770],
      "number_observations": 21029,
      "number_observations_unique": 3373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
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        {
          "type": "R(meas)",
          "value": 0.230
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        {
          "type": "I/SigI",
          "value": 9.500
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.235
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        {
          "type": "CC(1/2)",
          "value": 0.977
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      ]
    },
    {
      "resolution_limits": [3.100,2.920],
      "number_observations": 21955,
      "number_observations_unique": 3239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "R(meas)",
          "value": 0.174
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        {
          "type": "I/SigI",
          "value": 12.350
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.778
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        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
      "resolution_limits": [3.310,3.100],
      "number_observations": 20590,
      "number_observations_unique": 2990,
      "quality_factors": [
        {
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          "value": 0.120
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        {
          "type": "R(meas)",
          "value": 0.130
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        {
          "type": "I/SigI",
          "value": 15.790
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.886
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        {
          "type": "CC(1/2)",
          "value": 0.993
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    {
      "resolution_limits": [3.580,3.310],
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      "number_observations_unique": 2844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
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        {
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          "value": 0.099
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        {
          "type": "I/SigI",
          "value": 19.250
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.700
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        {
          "type": "CC(1/2)",
          "value": 0.994
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      ]
    },
    {
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      "number_observations_unique": 2620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
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        {
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        {
          "type": "I/SigI",
          "value": 22.030
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        {
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        {
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        {
          "type": "CC(1/2)",
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      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 23.440
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 5.933
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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": 26.940
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
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      "number_observations_unique": 1818,
      "quality_factors": [
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          "value": 0.061
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        {
          "type": "R(meas)",
          "value": 0.066
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        {
          "type": "I/SigI",
          "value": 25.430
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.587
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [8.770,6.200],
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.052
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        {
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        {
          "type": "I/SigI",
          "value": 26.200
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.893
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [48.220,8.770],
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      "number_observations_unique": 850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
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        {
          "type": "R(meas)",
          "value": 0.045
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        {
          "type": "I/SigI",
          "value": 33.210
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        {
          "type": "Completeness",
          "value": 98.800
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        {
          "type": "Redundancy",
          "value": 6.159
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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