Data quality metrics extracted from 3cui.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": "2852fc4d83032c962beb8efa3379ec92",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 85.700,
    "b": 85.700,
    "c": 78.977,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.400],
    "number_observations_unique": 58006,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 15.200
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 12.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations_unique": 2871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.838
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.30
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.42],
      "number_observations_unique": 2844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.709
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.50
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.45],
      "number_observations_unique": 2874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.610
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.60
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.48],
      "number_observations_unique": 2848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.70
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.51],
      "number_observations_unique": 2878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.450
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.54],
      "number_observations_unique": 2880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 11.90
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.58],
      "number_observations_unique": 2848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 12.10
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.62],
      "number_observations_unique": 2870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.66],
      "number_observations_unique": 2861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 12.50
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.71],
      "number_observations_unique": 2888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 12.60
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations_unique": 2886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 12.70
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.83],
      "number_observations_unique": 2892,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.90
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.90],
      "number_observations_unique": 2925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 13.20
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.99],
      "number_observations_unique": 2891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 13.60
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.09],
      "number_observations_unique": 2936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.20
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.22],
      "number_observations_unique": 2935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.80
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.39],
      "number_observations_unique": 2981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.00
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.63],
      "number_observations_unique": 3069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 14.90
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [30.00,3.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 96.40
        },
        {
          "type": "Redundancy",
          "value": 9.70
        }
      ]
    }
  ]

}
  

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


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