Data quality metrics extracted from 4v8e.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": "4ef55d179c77bc4d20a2c45796f700ec",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.25,
    "b": 450.87,
    "c": 622.66,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [300.0,3.200],
    "number_observations_unique": 962434,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.299
      },
      {
        "type": "I/SigI",
        "value": 8.530
      },
      {
        "type": "Completeness",
        "value": 100.000
      }
    ]
  },
  "refln_shells": [
    {
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      "number_observations_unique": 84296,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 1384863,
      "number_observations_unique": 74751,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 1241346,
      "number_observations_unique": 66493,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations": 1168250,
      "number_observations_unique": 59219,
      "quality_factors": [
        {
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          "value": 2.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 53136,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.700],
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      "number_observations_unique": 129303,
      "quality_factors": [
        {
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        {
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        }
      ]
    },
    {
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      "number_observations": 1523492,
      "number_observations_unique": 81734,
      "quality_factors": [
        {
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          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [4.500,4.250],
      "number_observations": 1235379,
      "number_observations_unique": 64667,
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        {
          "type": "I/SigI",
          "value": 7.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 51747,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 9.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.750],
      "number_observations": 812464,
      "number_observations_unique": 41974,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 11.270
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [6.000,5.000],
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      "number_observations_unique": 106612,
      "quality_factors": [
        {
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          "value": 14.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [7.000,6.000],
      "number_observations": 1051067,
      "number_observations_unique": 54429,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 18.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations": 543168,
      "number_observations_unique": 30665,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 21.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 326045,
      "number_observations_unique": 18594,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 23.570
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "quality_factors": [
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          "value": 26.770
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
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      "quality_factors": [
        {
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          "value": 33.480
        },
        {
          "type": "Completeness",
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      ]
    },
    {
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          "type": "I/SigI",
          "value": 75.470
        },
        {
          "type": "Completeness",
          "value": 97.800
        }
      ]
    },
    {
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      "number_observations": 3,
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      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 47.220
        },
        {
          "type": "Completeness",
          "value": 33.300
        }
      ]
    }
  ]

}
  

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


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