Data quality metrics extracted from 5dox.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": "73f4555ecdd419132e6e00befa7bcbb5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.51,
    "b": 448.29,
    "c": 619.37,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [309.685,3.100],
    "number_observations": 5754441,
    "number_observations_unique": 1041680,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.227
      },
      {
        "type": "R(meas)",
        "value": 0.252
      },
      {
        "type": "I/SigI",
        "value": 7.750
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 5.524
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.180,3.100],
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      "number_observations_unique": 76735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.118
        },
        {
          "type": "R(meas)",
          "value": 2.346
        },
        {
          "type": "I/SigI",
          "value": 1.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.180],
      "number_observations": 413937,
      "number_observations_unique": 74705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.648
        },
        {
          "type": "R(meas)",
          "value": 1.828
        },
        {
          "type": "I/SigI",
          "value": 1.320
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.270],
      "number_observations": 391288,
      "number_observations_unique": 72597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.296
        },
        {
          "type": "R(meas)",
          "value": 1.444
        },
        {
          "type": "I/SigI",
          "value": 1.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.360],
      "number_observations": 396950,
      "number_observations_unique": 70595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.088
        },
        {
          "type": "R(meas)",
          "value": 1.206
        },
        {
          "type": "I/SigI",
          "value": 2.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.470],
      "number_observations": 371312,
      "number_observations_unique": 68431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.884
        },
        {
          "type": "R(meas)",
          "value": 0.984
        },
        {
          "type": "I/SigI",
          "value": 2.420
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.710,3.580],
      "number_observations": 373162,
      "number_observations_unique": 66318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.696
        },
        {
          "type": "R(meas)",
          "value": 0.772
        },
        {
          "type": "I/SigI",
          "value": 3.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.710],
      "number_observations": 360992,
      "number_observations_unique": 63964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.539
        },
        {
          "type": "R(meas)",
          "value": 0.598
        },
        {
          "type": "I/SigI",
          "value": 3.880
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.850],
      "number_observations": 338249,
      "number_observations_unique": 61570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "R(meas)",
          "value": 0.477
        },
        {
          "type": "I/SigI",
          "value": 4.750
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.180,4.000],
      "number_observations": 323022,
      "number_observations_unique": 59153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        },
        {
          "type": "R(meas)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 5.630
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.380,4.180],
      "number_observations": 313861,
      "number_observations_unique": 56498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "R(meas)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 6.880
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.620,4.380],
      "number_observations": 296419,
      "number_observations_unique": 53787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "R(meas)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 8.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.900,4.620],
      "number_observations": 289091,
      "number_observations_unique": 50991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 9.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.240,4.900],
      "number_observations": 260365,
      "number_observations_unique": 47939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 11.270
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.660,5.240],
      "number_observations": 250010,
      "number_observations_unique": 44703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 13.280
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.200,5.660],
      "number_observations": 225123,
      "number_observations_unique": 41160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 14.280
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.930,6.200],
      "number_observations": 211949,
      "number_observations_unique": 37323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 16.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,6.930],
      "number_observations": 178338,
      "number_observations_unique": 33080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 20.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.800,8.000],
      "number_observations": 151766,
      "number_observations_unique": 28058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.060
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        {
          "type": "I/SigI",
          "value": 26.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [13.860,9.800],
      "number_observations": 118296,
      "number_observations_unique": 21898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 35.640
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [309.685,13.860],
      "number_observations": 62558,
      "number_observations_unique": 12175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 42.870
        },
        {
          "type": "Completeness",
          "value": 98.000
        }
      ]
    }
  ]

}
  

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


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