Data quality metrics extracted from 4d88.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": "0a8372958f97da023f88d23cc48187e3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 74.897,
    "c": 104.579,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 22.270
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 7.0
      }
    ]
  },
  "refln_shells": [
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 6.180
        },
        {
          "type": "Completeness",
          "value": 89.600
        },
        {
          "type": "Redundancy",
          "value": 6.53
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.770],
      "number_observations": 24690,
      "number_observations_unique": 3558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 7.310
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 6.94
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.830],
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      "number_observations_unique": 2620,
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        {
          "type": "R(merge)",
          "value": 0.233
        },
        {
          "type": "I/SigI",
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        {
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        },
        {
          "type": "Redundancy",
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      ]
    },
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      "resolution_limits": [1.950,1.880],
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      "quality_factors": [
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        },
        {
          "type": "I/SigI",
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        },
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          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.96
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.950],
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      "number_observations_unique": 2818,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 13.050
        },
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          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.020],
      "number_observations": 19356,
      "number_observations_unique": 2771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 15.690
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.99
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.100],
      "number_observations": 18852,
      "number_observations_unique": 2683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 18.370
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.03
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.190],
      "number_observations": 17604,
      "number_observations_unique": 2500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 21.480
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.04
        }
      ]
    },
    {
      "resolution_limits": [2.410,2.290],
      "number_observations": 17672,
      "number_observations_unique": 2500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 23.390
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.07
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.410],
      "number_observations": 15510,
      "number_observations_unique": 2188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 26.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.09
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      ]
    },
    {
      "resolution_limits": [2.710,2.540],
      "number_observations": 16367,
      "number_observations_unique": 2297,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 29.310
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.13
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.710],
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      "number_observations_unique": 2053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 32.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.13
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.910],
      "number_observations": 13506,
      "number_observations_unique": 1887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 37.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.16
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      ]
    },
    {
      "resolution_limits": [3.490,3.160],
      "number_observations": 12562,
      "number_observations_unique": 1768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 40.890
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.11
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      ]
    },
    {
      "resolution_limits": [3.950,3.490],
      "number_observations": 11114,
      "number_observations_unique": 1559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 45.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.13
        }
      ]
    },
    {
      "resolution_limits": [4.670,3.950],
      "number_observations": 9899,
      "number_observations_unique": 1407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 51.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.04
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      ]
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    {
      "resolution_limits": [5.980,4.670],
      "number_observations": 8029,
      "number_observations_unique": 1145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
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        {
          "type": "I/SigI",
          "value": 50.060
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        {
          "type": "Completeness",
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        {
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      ]
    },
    {
      "resolution_limits": [9.570,5.980],
      "number_observations": 5554,
      "number_observations_unique": 820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 51.500
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.77
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      ]
    },
    {
      "resolution_limits": [74.89,9.570],
      "number_observations": 1690,
      "number_observations_unique": 283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 52.610
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 5.97
        }
      ]
    }
  ]

}
  

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


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