Data quality metrics extracted from 3a02.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": "e3a40234b4fe41844afdc054fb0ed25d",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
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    "b": 45.81,
    "c": 48.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 32230,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 18.230
      },
      {
        "type": "Completeness",
        "value": 99.000
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 2340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.450
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.36
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.08,1.05],
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      "number_observations_unique": 2258,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.272
        },
        {
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          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
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      "number_observations_unique": 2214,
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          "value": 0.212
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 10.6
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
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      "quality_factors": [
        {
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          "value": 0.165
        },
        {
          "type": "R(meas)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 12.9
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        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.20,1.15],
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      "number_observations_unique": 2050,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 14.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.20],
      "number_observations": 20641,
      "number_observations_unique": 2004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.14
        },
        {
          "type": "I/SigI",
          "value": 15.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.29,1.24],
      "number_observations": 19793,
      "number_observations_unique": 1914,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 16.7
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.29],
      "number_observations": 19225,
      "number_observations_unique": 1844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 19.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.35],
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      "number_observations_unique": 1748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 21.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
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      "number_observations_unique": 1691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 23.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.49],
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      "number_observations_unique": 1604,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 25.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.58],
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      "number_observations_unique": 1499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 27.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
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      "number_observations": 14774,
      "number_observations_unique": 1403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.07
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        {
          "type": "I/SigI",
          "value": 28.9
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.83],
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      "number_observations_unique": 1301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 30.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.00],
      "number_observations": 12270,
      "number_observations_unique": 1180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.06
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        {
          "type": "I/SigI",
          "value": 32.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
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      "number_observations_unique": 1041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
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          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 32.6
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        {
          "type": "Completeness",
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    {
      "resolution_limits": [3.16,2.58],
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      "number_observations_unique": 869,
      "quality_factors": [
        {
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        {
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        {
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          "value": 31.6
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        {
          "type": "Completeness",
          "value": 97.40
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      ]
    },
    {
      "resolution_limits": [4.47,3.16],
      "number_observations": 4279,
      "number_observations_unique": 573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 28.1
        },
        {
          "type": "Completeness",
          "value": 79.90
        }
      ]
    },
    {
      "resolution_limits": [39.670,4.47],
      "number_observations": 1788,
      "number_observations_unique": 261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 26.2
        },
        {
          "type": "Completeness",
          "value": 62.30
        }
      ]
    }
  ]

}
  

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


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