Data quality metrics extracted from 6ucq.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": "b179fd4542379994f72b301072e75ace",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.655,
    "b": 448.741,
    "c": 623.994,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.890,3.500],
    "number_observations": 3383227,
    "number_observations_unique": 725815,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.330
      },
      {
        "type": "R(meas)",
        "value": 0.372
      },
      {
        "type": "I/SigI",
        "value": 4.480
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 4.661
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.710,3.500],
      "number_observations": 538310,
      "number_observations_unique": 114996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.779
        },
        {
          "type": "R(meas)",
          "value": 3.130
        },
        {
          "type": "I/SigI",
          "value": 0.640
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 4.681
        },
        {
          "type": "CC(1/2)",
          "value": 0.152
        }
      ]
    },
    {
      "resolution_limits": [3.960,3.710],
      "number_observations": 516641,
      "number_observations_unique": 110721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.740
        },
        {
          "type": "R(meas)",
          "value": 1.962
        },
        {
          "type": "I/SigI",
          "value": 1.030
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.666
        },
        {
          "type": "CC(1/2)",
          "value": 0.281
        }
      ]
    },
    {
      "resolution_limits": [4.280,3.960],
      "number_observations": 462041,
      "number_observations_unique": 101657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.129
        },
        {
          "type": "R(meas)",
          "value": 1.277
        },
        {
          "type": "I/SigI",
          "value": 1.530
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 4.545
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    },
    {
      "resolution_limits": [4.690,4.280],
      "number_observations": 457736,
      "number_observations_unique": 95037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.731
        },
        {
          "type": "R(meas)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 2.460
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.816
        },
        {
          "type": "CC(1/2)",
          "value": 0.697
        }
      ]
    },
    {
      "resolution_limits": [5.240,4.690],
      "number_observations": 400810,
      "number_observations_unique": 86044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.474
        },
        {
          "type": "R(meas)",
          "value": 0.534
        },
        {
          "type": "I/SigI",
          "value": 3.590
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.658
        },
        {
          "type": "CC(1/2)",
          "value": 0.833
        }
      ]
    },
    {
      "resolution_limits": [6.050,5.240],
      "number_observations": 349503,
      "number_observations_unique": 75140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.300
        },
        {
          "type": "R(meas)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 5.340
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 4.651
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    },
    {
      "resolution_limits": [7.410,6.050],
      "number_observations": 305397,
      "number_observations_unique": 64631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 7.650
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.725
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [10.480,7.410],
      "number_observations": 226927,
      "number_observations_unique": 49602,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 14.320
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 4.575
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [49.890,10.480],
      "number_observations": 125862,
      "number_observations_unique": 27987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 27.290
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 4.497
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.890 49.890 3.960
High resolution limit [Å] 3.500 10.480 3.710
R(merge) 0.3300 0.0430 1.7400
R(meas) 0.3720 0.0490 1.9620
CC(1/2) 0.996 0.996 0.281
Completeness [%] 98.7 98.2 99.5
Multiplicity 4.7 4.5 4.7


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.890-10.480 0.0430 0.0490 0.996 98.2 4.5
10.480-7.410 0.0940 0.1060 0.991 98.2 4.6
7.410-6.050 0.2020 0.2270 0.966 99.6 4.7
6.050-5.240 0.3000 0.3370 0.923 98.4 4.7
5.240-4.690 0.4740 0.5340 0.833 99.4 4.7
4.690-4.280 0.7310 0.8190 0.697 99.6 4.8
4.280-3.960 1.1290 1.2770 0.466 98.2 4.5
3.960-3.710 1.7400 1.9620 0.281 99.5 4.7
3.710-3.500 2.7790 3.1300 0.152 97.3 4.7