Data quality metrics extracted from 5f23.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": "44d0852218d915929bb8c41f8b19e631",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
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    "b": 41.19,
    "c": 64.13,
    "alpha": 90.00,
    "beta": 113.54,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 42621,
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        "value": 0.039
      },
      {
        "type": "R(meas)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 31.810
      },
      {
        "type": "Completeness",
        "value": 98.500
      },
      {
        "type": "Redundancy",
        "value": 10.1
      }
    ]
  },
  "refln_shells": [
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      "quality_factors": [
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          "value": 0.349
        },
        {
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          "value": 0.386
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        {
          "type": "I/SigI",
          "value": 4.440
        },
        {
          "type": "Completeness",
          "value": 92.200
        },
        {
          "type": "Redundancy",
          "value": 5.2
        }
      ]
    },
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      "number_observations_unique": 2929,
      "quality_factors": [
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          "value": 0.332
        },
        {
          "type": "R(meas)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
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        }
      ]
    },
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        {
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        }
      ]
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    {
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        },
        {
          "type": "R(meas)",
          "value": 0.238
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        {
          "type": "I/SigI",
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          "type": "Completeness",
          "value": 98.300
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      ]
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        },
        {
          "type": "R(meas)",
          "value": 0.192
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        {
          "type": "I/SigI",
          "value": 10.200
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        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.730],
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      "number_observations_unique": 2707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 12.360
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.790],
      "number_observations": 24494,
      "number_observations_unique": 2667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 14.890
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        {
          "type": "Completeness",
          "value": 99.600
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      ]
    },
    {
      "resolution_limits": [1.940,1.860],
      "number_observations": 24522,
      "number_observations_unique": 2551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.098
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        {
          "type": "I/SigI",
          "value": 19.080
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.940],
      "number_observations": 23922,
      "number_observations_unique": 2400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.075
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        {
          "type": "I/SigI",
          "value": 25.340
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.020],
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      "number_observations_unique": 2368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.059
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        {
          "type": "I/SigI",
          "value": 32.990
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.120],
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      "number_observations_unique": 2227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.052
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        {
          "type": "I/SigI",
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        {
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          "value": 100.000
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      ]
    },
    {
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      "number_observations_unique": 2127,
      "quality_factors": [
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          "value": 0.043
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        {
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          "value": 44.450
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        {
          "type": "Completeness",
          "value": 99.600
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      ]
    },
    {
      "resolution_limits": [2.540,2.370],
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      "number_observations_unique": 1962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 49.580
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        {
          "type": "Completeness",
          "value": 99.600
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      ]
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    {
      "resolution_limits": [2.740,2.540],
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      "number_observations_unique": 1871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
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        {
          "type": "R(meas)",
          "value": 0.038
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        {
          "type": "I/SigI",
          "value": 56.450
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        {
          "type": "Completeness",
          "value": 99.500
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      ]
    },
    {
      "resolution_limits": [3.000,2.740],
      "number_observations": 21308,
      "number_observations_unique": 1697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036
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        {
          "type": "I/SigI",
          "value": 61.990
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        {
          "type": "Completeness",
          "value": 99.700
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      ]
    },
    {
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      "number_observations_unique": 1550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
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        {
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        {
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        {
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      "number_observations_unique": 1377,
      "quality_factors": [
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          "type": "I/SigI",
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        {
          "type": "Completeness",
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      "quality_factors": [
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    {
      "resolution_limits": [6.710,4.740],
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      "number_observations_unique": 917,
      "quality_factors": [
        {
          "type": "R(merge)",
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 104.310
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        {
          "type": "Completeness",
          "value": 99.500
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    {
      "resolution_limits": [50,6.710],
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      "number_observations_unique": 527,
      "quality_factors": [
        {
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          "value": 0.032
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        {
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        {
          "type": "I/SigI",
          "value": 104.300
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        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    }
  ]

}
  

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


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