Data quality metrics extracted from 4ybb.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": "05f1fa104c20efffa70e1583a3f84833",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 433.89,
    "c": 624.25,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 3309372,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.154
      },
      {
        "type": "R(meas)",
        "value": 0.169
      },
      {
        "type": "I/SigI",
        "value": 4.770
      },
      {
        "type": "Completeness",
        "value": 86.900
      },
      {
        "type": "Redundancy",
        "value": 3.97
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 107902,
      "quality_factors": [
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          "value": 3.386
        },
        {
          "type": "R(meas)",
          "value": 4.105
        },
        {
          "type": "I/SigI",
          "value": 0.160
        },
        {
          "type": "Completeness",
          "value": 38.400
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.050],
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      "number_observations_unique": 167023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.357
        },
        {
          "type": "R(meas)",
          "value": 2.842
        },
        {
          "type": "I/SigI",
          "value": 0.210
        },
        {
          "type": "Completeness",
          "value": 61.000
        }
      ]
    },
    {
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      "quality_factors": [
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          "value": 1.688
        },
        {
          "type": "R(meas)",
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        {
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          "value": 0.280
        },
        {
          "type": "Completeness",
          "value": 80.900
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.170],
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      "number_observations_unique": 220611,
      "quality_factors": [
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          "value": 1.322
        },
        {
          "type": "R(meas)",
          "value": 1.604
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        {
          "type": "I/SigI",
          "value": 0.370
        },
        {
          "type": "Completeness",
          "value": 85.300
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.240],
      "number_observations": 523635,
      "number_observations_unique": 220040,
      "quality_factors": [
        {
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          "value": 1.041
        },
        {
          "type": "R(meas)",
          "value": 1.256
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        {
          "type": "I/SigI",
          "value": 0.490
        },
        {
          "type": "Completeness",
          "value": 87.700
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 569862,
      "number_observations_unique": 218647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.842
        },
        {
          "type": "R(meas)",
          "value": 1.011
        },
        {
          "type": "I/SigI",
          "value": 0.650
        },
        {
          "type": "Completeness",
          "value": 90.100
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.390],
      "number_observations": 591185,
      "number_observations_unique": 213706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.664
        },
        {
          "type": "R(meas)",
          "value": 0.792
        },
        {
          "type": "I/SigI",
          "value": 0.880
        },
        {
          "type": "Completeness",
          "value": 91.300
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.480],
      "number_observations": 609680,
      "number_observations_unique": 208934,
      "quality_factors": [
        {
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          "value": 0.502
        },
        {
          "type": "R(meas)",
          "value": 0.594
        },
        {
          "type": "I/SigI",
          "value": 1.220
        },
        {
          "type": "Completeness",
          "value": 92.700
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.580],
      "number_observations": 633117,
      "number_observations_unique": 203853,
      "quality_factors": [
        {
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          "value": 0.385
        },
        {
          "type": "R(meas)",
          "value": 0.453
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        {
          "type": "I/SigI",
          "value": 1.760
        },
        {
          "type": "Completeness",
          "value": 94.300
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.700],
      "number_observations": 636044,
      "number_observations_unique": 195774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.300
        },
        {
          "type": "R(meas)",
          "value": 0.351
        },
        {
          "type": "I/SigI",
          "value": 2.520
        },
        {
          "type": "Completeness",
          "value": 94.600
        }
      ]
    },
    {
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      "number_observations_unique": 189143,
      "quality_factors": [
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          "value": 0.260
        },
        {
          "type": "R(meas)",
          "value": 0.300
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
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      "quality_factors": [
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          "value": 0.343
        },
        {
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        {
          "type": "I/SigI",
          "value": 5.760
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.160],
      "number_observations": 981161,
      "number_observations_unique": 173964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "R(meas)",
          "value": 0.365
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        {
          "type": "I/SigI",
          "value": 7.770
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.380],
      "number_observations": 996545,
      "number_observations_unique": 162190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.254
        },
        {
          "type": "R(meas)",
          "value": 0.278
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        {
          "type": "I/SigI",
          "value": 9.370
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.650],
      "number_observations": 986973,
      "number_observations_unique": 149331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.206
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        {
          "type": "I/SigI",
          "value": 11.240
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [4.470,4.000],
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      "number_observations_unique": 135344,
      "quality_factors": [
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          "value": 0.158
        },
        {
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          "type": "I/SigI",
          "value": 13.050
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        {
          "type": "Completeness",
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      ]
    },
    {
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      "number_observations_unique": 119735,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 15.220
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        {
          "type": "Completeness",
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    {
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      "quality_factors": [
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        {
          "type": "I/SigI",
          "value": 16.870
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        {
          "type": "Completeness",
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      ]
    },
    {
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      "number_observations_unique": 78836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 18.600
        },
        {
          "type": "Completeness",
          "value": 99.400
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      ]
    },
    {
      "resolution_limits": [69.388,8.940],
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      "number_observations_unique": 43452,
      "quality_factors": [
        {
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          "value": 0.046
        },
        {
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          "value": 0.050
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        {
          "type": "I/SigI",
          "value": 22.010
        },
        {
          "type": "Completeness",
          "value": 97.800
        }
      ]
    }
  ]

}
  

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


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