Data quality metrics extracted from 7a0u.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": "9e5cb915d165312dd4e025712db3cfc1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
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    "b": 61.86,
    "c": 142.42,
    "alpha": 90.000,
    "beta": 117.935,
    "gamma": 90.000
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 53012,
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        "value": 0.138
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "I/SigI",
        "value": 5.640
      },
      {
        "type": "Completeness",
        "value": 96.800
      },
      {
        "type": "Redundancy",
        "value": 2.861
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 3977,
      "quality_factors": [
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          "value": 0.415
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        {
          "type": "R(meas)",
          "value": 0.508
        },
        {
          "type": "I/SigI",
          "value": 2.350
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        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 2.906
        },
        {
          "type": "CC(1/2)",
          "value": 0.686
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      ]
    },
    {
      "resolution_limits": [2.380,2.320],
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      "number_observations_unique": 3853,
      "quality_factors": [
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          "type": "R(merge)",
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        },
        {
          "type": "R(meas)",
          "value": 0.433
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        {
          "type": "I/SigI",
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        },
        {
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          "value": 98.700
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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    },
    {
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          "value": 0.387
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 98.000
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        {
          "type": "Redundancy",
          "value": 2.843
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        {
          "type": "CC(1/2)",
          "value": 0.788
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      ]
    },
    {
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      "number_observations_unique": 3594,
      "quality_factors": [
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          "value": 0.297
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        {
          "type": "R(meas)",
          "value": 0.367
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        {
          "type": "I/SigI",
          "value": 3.170
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        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 2.698
        },
        {
          "type": "CC(1/2)",
          "value": 0.800
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.530],
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      "number_observations_unique": 3536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 2.889
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        {
          "type": "CC(1/2)",
          "value": 0.848
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      ]
    },
    {
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      "number_observations_unique": 3446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
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        {
          "type": "R(meas)",
          "value": 0.303
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        {
          "type": "I/SigI",
          "value": 4.060
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        {
          "type": "Completeness",
          "value": 98.600
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        {
          "type": "Redundancy",
          "value": 2.937
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        {
          "type": "CC(1/2)",
          "value": 0.874
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      ]
    },
    {
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
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        {
          "type": "R(meas)",
          "value": 0.263
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        {
          "type": "I/SigI",
          "value": 4.650
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        {
          "type": "Completeness",
          "value": 98.400
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        {
          "type": "Redundancy",
          "value": 2.927
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        {
          "type": "CC(1/2)",
          "value": 0.904
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      ]
    },
    {
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.235
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        {
          "type": "I/SigI",
          "value": 5.220
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        {
          "type": "Completeness",
          "value": 98.000
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        {
          "type": "Redundancy",
          "value": 2.882
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 2998,
      "quality_factors": [
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          "value": 0.168
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        {
          "type": "R(meas)",
          "value": 0.207
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        {
          "type": "I/SigI",
          "value": 5.660
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        {
          "type": "Completeness",
          "value": 97.400
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        {
          "type": "Redundancy",
          "value": 2.782
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        {
          "type": "CC(1/2)",
          "value": 0.942
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      ]
    },
    {
      "resolution_limits": [3.200,3.050],
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      "number_observations_unique": 2867,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.182
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        {
          "type": "I/SigI",
          "value": 6.380
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        {
          "type": "Completeness",
          "value": 96.800
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        {
          "type": "Redundancy",
          "value": 2.798
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        {
          "type": "CC(1/2)",
          "value": 0.957
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      ]
    },
    {
      "resolution_limits": [3.370,3.200],
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      "number_observations_unique": 2792,
      "quality_factors": [
        {
          "type": "R(merge)",
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        {
          "type": "R(meas)",
          "value": 0.165
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        {
          "type": "I/SigI",
          "value": 7.160
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        {
          "type": "Completeness",
          "value": 97.900
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        {
          "type": "Redundancy",
          "value": 2.929
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        {
          "type": "CC(1/2)",
          "value": 0.964
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      ]
    },
    {
      "resolution_limits": [3.570,3.370],
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      "number_observations_unique": 2594,
      "quality_factors": [
        {
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          "value": 0.128
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        {
          "type": "R(meas)",
          "value": 0.157
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        {
          "type": "I/SigI",
          "value": 7.550
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        {
          "type": "Completeness",
          "value": 97.500
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        {
          "type": "Redundancy",
          "value": 2.928
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        {
          "type": "CC(1/2)",
          "value": 0.967
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      ]
    },
    {
      "resolution_limits": [3.820,3.570],
      "number_observations": 6074,
      "number_observations_unique": 2162,
      "quality_factors": [
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          "value": 0.119
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        {
          "type": "R(meas)",
          "value": 0.147
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 84.700
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        {
          "type": "Redundancy",
          "value": 2.809
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        {
          "type": "CC(1/2)",
          "value": 0.969
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    {
      "resolution_limits": [4.130,3.820],
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      "number_observations_unique": 2192,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 8.370
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        {
          "type": "Completeness",
          "value": 93.600
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        {
          "type": "Redundancy",
          "value": 2.698
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        {
          "type": "CC(1/2)",
          "value": 0.977
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      ]
    },
    {
      "resolution_limits": [4.520,4.130],
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      "number_observations_unique": 2096,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.096
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        {
          "type": "R(meas)",
          "value": 0.118
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 96.900
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        {
          "type": "Redundancy",
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          "value": 0.092
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        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 2.941
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        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 2.814
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          "type": "CC(1/2)",
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      "number_observations_unique": 1408,
      "quality_factors": [
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          "value": 0.091
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        {
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          "value": 0.112
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        {
          "type": "I/SigI",
          "value": 9.560
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        {
          "type": "Completeness",
          "value": 95.500
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        {
          "type": "Redundancy",
          "value": 2.858
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        {
          "type": "CC(1/2)",
          "value": 0.977
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      ]
    },
    {
      "resolution_limits": [10.110,7.150],
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      "quality_factors": [
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          "value": 0.076
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        {
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          "value": 0.093
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        {
          "type": "I/SigI",
          "value": 10.930
        },
        {
          "type": "Completeness",
          "value": 94.700
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        {
          "type": "Redundancy",
          "value": 2.906
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        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
      "resolution_limits": [125.830,10.110],
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      "number_observations_unique": 612,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 11.110
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        {
          "type": "Completeness",
          "value": 91.300
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        {
          "type": "Redundancy",
          "value": 2.768
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        {
          "type": "CC(1/2)",
          "value": 0.989
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      ]
    }
  ]

}
  

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


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