Data quality metrics extracted from 9ue4.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "af6c1eaef3a1cce6703dc9f9614e1072",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.890,
    "b": 108.871,
    "c": 96.873,
    "alpha": 90.00,
    "beta": 108.46,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.18],
    "number_observations_unique": 61044,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0616
      },
      {
        "type": "R(meas)",
        "value": 0.0671
      },
      {
        "type": "R(pim)",
        "value": 0.0263
      },
      {
        "type": "I/SigI",
        "value": 32.91
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.49
      },
      {
        "type": "CC(1/2)",
        "value": 0.9817
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,9.57],
      "number_observations_unique": 759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0576
        },
        {
          "type": "CC(1/2)",
          "value": 0.7238
        }
      ]
    },
    {
      "resolution_limits": [9.57,6.84],
      "number_observations_unique": 1291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0472
        },
        {
          "type": "CC(1/2)",
          "value": 0.9959
        }
      ]
    },
    {
      "resolution_limits": [6.84,5.61],
      "number_observations_unique": 1643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0462
        },
        {
          "type": "CC(1/2)",
          "value": 0.9982
        }
      ]
    },
    {
      "resolution_limits": [5.61,4.86],
      "number_observations_unique": 1951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0426
        },
        {
          "type": "CC(1/2)",
          "value": 0.9981
        }
      ]
    },
    {
      "resolution_limits": [4.86,4.36],
      "number_observations_unique": 2190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0421
        },
        {
          "type": "CC(1/2)",
          "value": 0.9975
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.98],
      "number_observations_unique": 2409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0448
        },
        {
          "type": "CC(1/2)",
          "value": 0.9980
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.69],
      "number_observations_unique": 2623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0470
        },
        {
          "type": "CC(1/2)",
          "value": 0.9962
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.45],
      "number_observations_unique": 2799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0510
        },
        {
          "type": "CC(1/2)",
          "value": 0.9975
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.25],
      "number_observations_unique": 3009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0527
        },
        {
          "type": "CC(1/2)",
          "value": 0.9977
        }
      ]
    },
    {
      "resolution_limits": [3.25,3.09],
      "number_observations_unique": 3144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0602
        },
        {
          "type": "CC(1/2)",
          "value": 0.9972
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.94],
      "number_observations_unique": 3302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0643
        },
        {
          "type": "CC(1/2)",
          "value": 0.9953
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.82],
      "number_observations_unique": 3493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0679
        },
        {
          "type": "CC(1/2)",
          "value": 0.9964
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.71],
      "number_observations_unique": 3578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0753
        },
        {
          "type": "CC(1/2)",
          "value": 0.9962
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.61],
      "number_observations_unique": 3721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0798
        },
        {
          "type": "CC(1/2)",
          "value": 0.9962
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.52],
      "number_observations_unique": 3904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0834
        },
        {
          "type": "CC(1/2)",
          "value": 0.9915
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.44],
      "number_observations_unique": 4030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0903
        },
        {
          "type": "CC(1/2)",
          "value": 0.9945
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.37],
      "number_observations_unique": 4098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1086
        },
        {
          "type": "CC(1/2)",
          "value": 0.9919
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.30],
      "number_observations_unique": 4223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1086
        },
        {
          "type": "CC(1/2)",
          "value": 0.9919
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.24],
      "number_observations_unique": 4392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1127
        },
        {
          "type": "CC(1/2)",
          "value": 0.9911
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.18],
      "number_observations_unique": 4485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1175
        },
        {
          "type": "CC(1/2)",
          "value": 0.9903
        }
      ]
    }
  ]

}
  

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


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