Data quality metrics extracted from 6xvu.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": "c416a4422ce37fe1e7682b0076ab2aea",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 87.65,
    "b": 87.65,
    "c": 181.21,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.740,2.000],
    "number_observations": 1424907,
    "number_observations_unique": 48536,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "I/SigI",
        "value": 12.010
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 29.358
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 81289,
      "number_observations_unique": 3376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.119
        },
        {
          "type": "R(meas)",
          "value": 4.208
        },
        {
          "type": "I/SigI",
          "value": 0.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.256
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.050],
      "number_observations": 77668,
      "number_observations_unique": 3100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.196
        },
        {
          "type": "R(meas)",
          "value": 3.262
        },
        {
          "type": "I/SigI",
          "value": 0.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.054
        },
        {
          "type": "CC(1/2)",
          "value": 0.360
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.100],
      "number_observations": 80388,
      "number_observations_unique": 3013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.827
        },
        {
          "type": "R(meas)",
          "value": 2.882
        },
        {
          "type": "I/SigI",
          "value": 1.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.680
        },
        {
          "type": "CC(1/2)",
          "value": 0.503
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.150],
      "number_observations": 66477,
      "number_observations_unique": 2335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.284
        },
        {
          "type": "R(meas)",
          "value": 2.325
        },
        {
          "type": "I/SigI",
          "value": 1.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.470
        },
        {
          "type": "CC(1/2)",
          "value": 0.607
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.200],
      "number_observations": 137955,
      "number_observations_unique": 4498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.726
        },
        {
          "type": "R(meas)",
          "value": 1.754
        },
        {
          "type": "I/SigI",
          "value": 2.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.670
        },
        {
          "type": "CC(1/2)",
          "value": 0.751
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.300],
      "number_observations": 118487,
      "number_observations_unique": 3768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.256
        },
        {
          "type": "R(meas)",
          "value": 1.276
        },
        {
          "type": "I/SigI",
          "value": 3.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.446
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.400],
      "number_observations": 100682,
      "number_observations_unique": 3207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.916
        },
        {
          "type": "R(meas)",
          "value": 0.931
        },
        {
          "type": "I/SigI",
          "value": 4.370
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.394
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.500],
      "number_observations": 324774,
      "number_observations_unique": 10415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 9.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.183
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.000],
      "number_observations": 255967,
      "number_observations_unique": 8408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 23.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.443
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.000,4.000],
      "number_observations": 126395,
      "number_observations_unique": 4404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 36.420
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [10.000,6.000],
      "number_observations": 43432,
      "number_observations_unique": 1537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 39.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [49.740,10.000],
      "number_observations": 11393,
      "number_observations_unique": 475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 41.440
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 23.985
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.740 49.740 2.100
High resolution limit [Å] 2.000 10.000 2.050
R(merge) 0.1690 0.0480 3.1960
R(meas) 0.1720 0.0490 3.2620
CC(1/2) 0.999 0.999 0.360
Completeness [%] 100.0 99.0 100.0
Multiplicity 29.4 24.0 26.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.740-10.000 0.0480 0.0490 0.999 99.0 24.0
10.000-6.000 0.0590 0.0600 0.999 100.0 28.3
6.000-4.000 0.0740 0.0750 0.999 100.0 28.7
4.000-3.000 0.1340 0.1370 0.998 100.0 30.4
3.000-2.500 0.4310 0.4380 0.987 100.0 31.2
2.500-2.400 0.9160 0.9310 0.922 100.0 31.4
2.400-2.300 1.2560 1.2760 0.854 100.0 31.4
2.300-2.200 1.7260 1.7540 0.751 100.0 30.7
2.200-2.150 2.2840 2.3250 0.607 100.0 28.5
2.150-2.100 2.8270 2.8820 0.503 100.0 26.7
2.100-2.050 3.1960 3.2620 0.360 100.0 26.1
2.050-2.000 4.1190 4.2080 0.256 100.0 25.1