Data quality metrics extracted from 6va7.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": "3e14ae4429d4b48292b95606c0f1d3fd",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 157.354,
    "b": 157.354,
    "c": 113.616,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.760,3.070],
    "number_observations": 359866,
    "number_observations_unique": 27090,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 21.940
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 13.284
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.260,3.070],
      "number_observations": 58092,
      "number_observations_unique": 4260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.596
        },
        {
          "type": "R(meas)",
          "value": 1.658
        },
        {
          "type": "I/SigI",
          "value": 1.610
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 13.637
        },
        {
          "type": "CC(1/2)",
          "value": 0.647
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.260],
      "number_observations": 55149,
      "number_observations_unique": 4045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.786
        },
        {
          "type": "R(meas)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 3.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.634
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    },
    {
      "resolution_limits": [3.760,3.480],
      "number_observations": 47073,
      "number_observations_unique": 3769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.375
        },
        {
          "type": "R(meas)",
          "value": 0.391
        },
        {
          "type": "I/SigI",
          "value": 7.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.490
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [4.120,3.760],
      "number_observations": 49334,
      "number_observations_unique": 3501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 15.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.091
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.120],
      "number_observations": 43679,
      "number_observations_unique": 3177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 26.410
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.749
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.300,4.600],
      "number_observations": 36767,
      "number_observations_unique": 2829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 34.740
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.996
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.480,5.300],
      "number_observations": 31239,
      "number_observations_unique": 2418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 37.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 12.919
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.080,6.480],
      "number_observations": 24938,
      "number_observations_unique": 1920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 57.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.989
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [49.760,9.080],
      "number_observations": 13595,
      "number_observations_unique": 1171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 95.200
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 11.610
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.760 49.760 3.480
High resolution limit [Å] 3.070 9.080 3.260
R(merge) 0.1140 0.0210 0.7860
R(meas) 0.1190 0.0220 0.8160
CC(1/2) 0.999 1.000 0.892
Completeness [%] 99.8 98.8 100.0
Multiplicity 13.3 11.6 13.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.760-9.080 0.0210 0.0220 1.000 98.8 11.6
9.080-6.480 0.0400 0.0420 1.000 100.0 13.0
6.480-5.300 0.0680 0.0710 0.999 99.7 12.9
5.300-4.600 0.0730 0.0760 0.999 100.0 13.0
4.600-4.120 0.0990 0.1030 0.998 100.0 13.7
4.120-3.760 0.1830 0.1900 0.994 100.0 15.1
3.760-3.480 0.3750 0.3910 0.971 99.9 12.5
3.480-3.260 0.7860 0.8160 0.892 100.0 13.6
3.260-3.070 1.5960 1.6580 0.647 99.3 13.6