Data quality metrics extracted from 9c43.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": "9f00711b201927485d0a97d9558d3f7c",
  "space_group_name": "P 3",
  "unit_cell": {
    "a": 85.17,
    "b": 85.17,
    "c": 42.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 27828,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 9.50
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.92,1.87],
      "number_observations_unique": 2101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5710000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.612
        },
        {
          "type": "CC(1/2)",
          "value": 0.7120000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.92],
      "number_observations_unique": 2034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "R(meas)",
          "value": 0.49200000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
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      ]
    },
    {
      "resolution_limits": [2.03,1.97],
      "number_observations_unique": 1990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.384
        },
        {
          "type": "R(meas)",
          "value": 0.415
        },
        {
          "type": "CC(1/2)",
          "value": 0.81
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      ]
    },
    {
      "resolution_limits": [2.09,2.03],
      "number_observations_unique": 1902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32899999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.355
        },
        {
          "type": "CC(1/2)",
          "value": 0.815
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      ]
    },
    {
      "resolution_limits": [2.16,2.09],
      "number_observations_unique": 1865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.295
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
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      ]
    },
    {
      "resolution_limits": [2.24,2.16],
      "number_observations_unique": 1785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "R(meas)",
          "value": 0.257
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.24],
      "number_observations_unique": 1730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "R(meas)",
          "value": 0.223
        },
        {
          "type": "CC(1/2)",
          "value": 0.92
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      ]
    },
    {
      "resolution_limits": [2.41,2.32],
      "number_observations_unique": 1629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.196
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.41],
      "number_observations_unique": 1571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
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      ]
    },
    {
      "resolution_limits": [2.64,2.52],
      "number_observations_unique": 1532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14800000000000002
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        {
          "type": "R(meas)",
          "value": 0.159
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
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      ]
    },
    {
      "resolution_limits": [2.79,2.64],
      "number_observations_unique": 1443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
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      ]
    },
    {
      "resolution_limits": [2.96,2.79],
      "number_observations_unique": 1318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.14300000000000002
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        {
          "type": "CC(1/2)",
          "value": 0.963
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      ]
    },
    {
      "resolution_limits": [3.16,2.96],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.13699999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.9690000000000001
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      ]
    },
    {
      "resolution_limits": [3.41,3.16],
      "number_observations_unique": 1157,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11599999999999999
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        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
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      ]
    },
    {
      "resolution_limits": [3.74,3.41],
      "number_observations_unique": 1091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
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      ]
    },
    {
      "resolution_limits": [4.18,3.74],
      "number_observations_unique": 971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.11800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
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      ]
    },
    {
      "resolution_limits": [4.83,4.18],
      "number_observations_unique": 852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.12
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        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
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      ]
    },
    {
      "resolution_limits": [5.91,4.83],
      "number_observations_unique": 749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10099999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
      "resolution_limits": [8.36,5.91],
      "number_observations_unique": 558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
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      ]
    },
    {
      "resolution_limits": [20,8.36],
      "number_observations_unique": 285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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