Data quality metrics extracted from 3ufx.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": "b4f47891975622b1a9348178b7fcd2c7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 261.7,
    "b": 126.8,
    "c": 110.6,
    "alpha": 90.00,
    "beta": 112.76,
    "gamma": 90.00
  },
  "wavelengths": [1.11590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [200.0,2.350],
    "number_observations_unique": 120106,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 86.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.390,2.350],
      "number_observations_unique": 3383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "Completeness",
          "value": 49.3
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.390],
      "number_observations_unique": 4057,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "Completeness",
          "value": 58.6
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.430],
      "number_observations_unique": 4708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.407
        },
        {
          "type": "Completeness",
          "value": 68.1
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.480],
      "number_observations_unique": 5279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "Completeness",
          "value": 77.0
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.530],
      "number_observations_unique": 5778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "Completeness",
          "value": 83.6
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.590],
      "number_observations_unique": 6029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        },
        {
          "type": "Completeness",
          "value": 87.4
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.650],
      "number_observations_unique": 6202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "Completeness",
          "value": 89.7
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.710],
      "number_observations_unique": 6273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "Completeness",
          "value": 91.3
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.790],
      "number_observations_unique": 6410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "Completeness",
          "value": 92.8
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.870],
      "number_observations_unique": 6482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "Completeness",
          "value": 93.4
        }
      ]
    },
    {
      "resolution_limits": [3.070,2.960],
      "number_observations_unique": 6473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    },
    {
      "resolution_limits": [3.190,3.070],
      "number_observations_unique": 6483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "Completeness",
          "value": 93.9
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.190],
      "number_observations_unique": 6512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "Completeness",
          "value": 94.2
        }
      ]
    },
    {
      "resolution_limits": [3.510,3.330],
      "number_observations_unique": 6560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.510],
      "number_observations_unique": 6626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.730],
      "number_observations_unique": 6594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    },
    {
      "resolution_limits": [4.420,4.020],
      "number_observations_unique": 6623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [5.060,4.420],
      "number_observations_unique": 6621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [6.380,5.060],
      "number_observations_unique": 6530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    },
    {
      "resolution_limits": [200.0,6.380],
      "number_observations_unique": 6483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 91.5
        }
      ]
    }
  ]

}
  

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


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