Data quality metrics extracted from 3w9v.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": "5dcdae9a47bc34c7086a5572f89efd05",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
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    "b": 86.89,
    "c": 88.64,
    "alpha": 90.00,
    "beta": 90.81,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 14.300
      },
      {
        "type": "Completeness",
        "value": 99.100
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 24541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.588
        },
        {
          "type": "R(meas)",
          "value": 0.717
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
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      "number_observations_unique": 24715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.443
        },
        {
          "type": "R(meas)",
          "value": 0.538
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [1.120,1.090],
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      "number_observations_unique": 24108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
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        }
      ]
    },
    {
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      "number_observations_unique": 23573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 4.340
        },
        {
          "type": "Completeness",
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        }
      ]
    },
    {
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      "number_observations_unique": 22900,
      "quality_factors": [
        {
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          "value": 0.221
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 5.220
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        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [1.230,1.190],
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      "number_observations_unique": 22205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.237
        },
        {
          "type": "I/SigI",
          "value": 5.830
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [1.280,1.230],
      "number_observations": 73059,
      "number_observations_unique": 21430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 6.590
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [1.330,1.280],
      "number_observations": 71240,
      "number_observations_unique": 20574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.179
        },
        {
          "type": "I/SigI",
          "value": 7.410
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [1.390,1.330],
      "number_observations": 69199,
      "number_observations_unique": 19816,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 8.750
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.390],
      "number_observations": 65956,
      "number_observations_unique": 18917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 10.680
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [1.540,1.460],
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      "number_observations_unique": 18031,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 13.830
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.540],
      "number_observations": 112503,
      "number_observations_unique": 17101,
      "quality_factors": [
        {
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          "value": 0.109
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 18.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
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      "number_observations_unique": 16095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 23.280
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.740],
      "number_observations": 110857,
      "number_observations_unique": 14969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.069
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        {
          "type": "I/SigI",
          "value": 31.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.880],
      "number_observations": 57377,
      "number_observations_unique": 13809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 27.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.060],
      "number_observations": 46935,
      "number_observations_unique": 12453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 33.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
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      "number_observations_unique": 11024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
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        {
          "type": "I/SigI",
          "value": 40.760
        },
        {
          "type": "Completeness",
          "value": 99.800
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      ]
    },
    {
      "resolution_limits": [3.260,2.660],
      "number_observations": 34954,
      "number_observations_unique": 9297,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 48.380
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [4.610,3.260],
      "number_observations": 26623,
      "number_observations_unique": 7249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 56.410
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [44.32,4.610],
      "number_observations": 14528,
      "number_observations_unique": 3957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "R(meas)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 58.220
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    }
  ]

}
  

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


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