Data quality metrics extracted from 7qft.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": "3265f330d23ec434cc90d2f66dfe8c0c",
  "space_group_name": "P 1",
  "unit_cell": {
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    "b": 39.97,
    "c": 65.07,
    "alpha": 81.90,
    "beta": 84.95,
    "gamma": 70.71
  },
  "wavelengths": [0.96500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 57658,
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        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "R(meas)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 9.200
      },
      {
        "type": "Completeness",
        "value": 94.700
      },
      {
        "type": "Redundancy",
        "value": 3.407
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 3572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.214
        },
        {
          "type": "R(meas)",
          "value": 1.451
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 79.700
        },
        {
          "type": "Redundancy",
          "value": 3.173
        },
        {
          "type": "CC(1/2)",
          "value": 0.360
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.510],
      "number_observations": 14302,
      "number_observations_unique": 4149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.884
        },
        {
          "type": "R(meas)",
          "value": 1.046
        },
        {
          "type": "I/SigI",
          "value": 1.920
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 3.447
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        {
          "type": "CC(1/2)",
          "value": 0.562
        }
      ]
    },
    {
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.644
        },
        {
          "type": "R(meas)",
          "value": 0.762
        },
        {
          "type": "I/SigI",
          "value": 2.510
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 3.466
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        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    },
    {
      "resolution_limits": [1.650,1.600],
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      "number_observations_unique": 3863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.472
        },
        {
          "type": "R(meas)",
          "value": 0.558
        },
        {
          "type": "I/SigI",
          "value": 3.330
        },
        {
          "type": "Completeness",
          "value": 95.000
        },
        {
          "type": "Redundancy",
          "value": 3.473
        },
        {
          "type": "CC(1/2)",
          "value": 0.790
        }
      ]
    },
    {
      "resolution_limits": [1.700,1.650],
      "number_observations": 13144,
      "number_observations_unique": 3810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.435
        },
        {
          "type": "I/SigI",
          "value": 3.940
        },
        {
          "type": "Completeness",
          "value": 94.800
        },
        {
          "type": "Redundancy",
          "value": 3.450
        },
        {
          "type": "CC(1/2)",
          "value": 0.860
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.700],
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      "number_observations_unique": 3746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.282
        },
        {
          "type": "R(meas)",
          "value": 0.334
        },
        {
          "type": "I/SigI",
          "value": 4.830
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        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "Redundancy",
          "value": 3.362
        },
        {
          "type": "CC(1/2)",
          "value": 0.918
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      ]
    },
    {
      "resolution_limits": [1.830,1.760],
      "number_observations": 11194,
      "number_observations_unique": 3610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        },
        {
          "type": "R(meas)",
          "value": 0.264
        },
        {
          "type": "I/SigI",
          "value": 5.720
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        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 3.101
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        {
          "type": "CC(1/2)",
          "value": 0.935
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      ]
    },
    {
      "resolution_limits": [1.900,1.830],
      "number_observations": 10893,
      "number_observations_unique": 3427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 7.040
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        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 3.179
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
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      ]
    },
    {
      "resolution_limits": [1.990,1.900],
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      "number_observations_unique": 3316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.153
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        {
          "type": "I/SigI",
          "value": 9.310
        },
        {
          "type": "Completeness",
          "value": 95.400
        },
        {
          "type": "Redundancy",
          "value": 3.411
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
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      ]
    },
    {
      "resolution_limits": [2.080,1.990],
      "number_observations": 11270,
      "number_observations_unique": 3157,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 11.150
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 3.570
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        {
          "type": "CC(1/2)",
          "value": 0.983
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      ]
    },
    {
      "resolution_limits": [2.200,2.080],
      "number_observations": 11043,
      "number_observations_unique": 3056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 12.690
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.614
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        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.200],
      "number_observations": 10090,
      "number_observations_unique": 2883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 13.710
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.330],
      "number_observations": 9662,
      "number_observations_unique": 2732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.089
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        {
          "type": "I/SigI",
          "value": 14.580
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        {
          "type": "Completeness",
          "value": 97.200
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        {
          "type": "Redundancy",
          "value": 3.537
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        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
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    {
      "resolution_limits": [2.690,2.490],
      "number_observations": 8715,
      "number_observations_unique": 2525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
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        {
          "type": "R(meas)",
          "value": 0.082
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        {
          "type": "I/SigI",
          "value": 15.530
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        {
          "type": "Completeness",
          "value": 97.000
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        {
          "type": "Redundancy",
          "value": 3.451
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        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
    },
    {
      "resolution_limits": [2.950,2.690],
      "number_observations": 7895,
      "number_observations_unique": 2335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
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        {
          "type": "R(meas)",
          "value": 0.075
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        {
          "type": "I/SigI",
          "value": 16.770
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        {
          "type": "Completeness",
          "value": 97.500
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        {
          "type": "Redundancy",
          "value": 3.381
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        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [3.300,2.950],
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      "number_observations_unique": 2072,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.054
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        {
          "type": "R(meas)",
          "value": 0.066
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        {
          "type": "I/SigI",
          "value": 17.860
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        {
          "type": "Completeness",
          "value": 96.300
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        {
          "type": "Redundancy",
          "value": 3.107
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        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [3.810,3.300],
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      "number_observations_unique": 1834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
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        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 19.970
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        {
          "type": "Completeness",
          "value": 94.800
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        {
          "type": "Redundancy",
          "value": 3.218
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        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [4.660,3.810],
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      "number_observations_unique": 1565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
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        {
          "type": "R(meas)",
          "value": 0.059
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        {
          "type": "I/SigI",
          "value": 22.970
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.731
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        {
          "type": "CC(1/2)",
          "value": 0.995
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      ]
    },
    {
      "resolution_limits": [6.590,4.660],
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      "number_observations_unique": 1251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 23.230
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 3.814
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [64.360,6.590],
      "number_observations": 2490,
      "number_observations_unique": 670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 23.600
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.716
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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