Data quality metrics extracted from 5ce7.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": "529195fc20cab2d3d4446be3980a2a06",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
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    "b": 51.31,
    "c": 119.05,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97964,0.98012,0.97197],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 20524,
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        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 20.890
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 7.7
      }
    ]
  },
  "refln_shells": [
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.456
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 4.930
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
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      "number_observations_unique": 1433,
      "quality_factors": [
        {
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          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.403
        },
        {
          "type": "I/SigI",
          "value": 5.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
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        },
        {
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          "type": "I/SigI",
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        {
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      ]
    },
    {
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      "number_observations_unique": 1417,
      "quality_factors": [
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          "value": 0.274
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 7.700
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
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    {
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      "number_observations_unique": 1325,
      "quality_factors": [
        {
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          "value": 0.230
        },
        {
          "type": "R(meas)",
          "value": 0.247
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        {
          "type": "I/SigI",
          "value": 9.230
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
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      "number_observations_unique": 1312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 11.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.390],
      "number_observations": 10067,
      "number_observations_unique": 1269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 12.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.480],
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      "number_observations_unique": 1248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 14.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.580],
      "number_observations": 8618,
      "number_observations_unique": 1155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.123
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        {
          "type": "I/SigI",
          "value": 16.630
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.700],
      "number_observations": 8182,
      "number_observations_unique": 1101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 18.170
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.830],
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      "number_observations_unique": 1052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.087
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        {
          "type": "I/SigI",
          "value": 22.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.980],
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      "number_observations_unique": 1014,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.076
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        {
          "type": "I/SigI",
          "value": 25.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.160],
      "number_observations": 7328,
      "number_observations_unique": 944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.057
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        {
          "type": "I/SigI",
          "value": 32.010
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [3.650,3.380],
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      "number_observations_unique": 874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
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        {
          "type": "I/SigI",
          "value": 38.270
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.650],
      "number_observations": 6302,
      "number_observations_unique": 804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
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        {
          "type": "I/SigI",
          "value": 48.310
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.000],
      "number_observations": 5737,
      "number_observations_unique": 737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.030
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        {
          "type": "I/SigI",
          "value": 54.160
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        {
          "type": "Completeness",
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    {
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      "number_observations_unique": 651,
      "quality_factors": [
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          "value": 0.030
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        {
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          "type": "I/SigI",
          "value": 52.260
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        {
          "type": "Completeness",
          "value": 100.000
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    {
      "resolution_limits": [6.330,5.160],
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      "number_observations_unique": 528,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.033
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [8.950,6.330],
      "number_observations": 3245,
      "number_observations_unique": 422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 52.820
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [47.1200,8.950],
      "number_observations": 1735,
      "number_observations_unique": 233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 70.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    }
  ]

}
  

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


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