Data quality metrics extracted from 7xgk.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": "4eb3041d71a7b1b20391504f9d18a3b1",
  "space_group_name": "P 21 3",
  "unit_cell": {
    "a": 141.34,
    "b": 141.34,
    "c": 141.34,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.970,2.400],
    "number_observations": 1964140,
    "number_observations_unique": 36921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.315
      },
      {
        "type": "R(meas)",
        "value": 0.318
      },
      {
        "type": "I/SigI",
        "value": 15.220
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 53.198
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.560,2.400],
      "number_observations": 329726,
      "number_observations_unique": 6362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.633
        },
        {
          "type": "R(meas)",
          "value": 4.678
        },
        {
          "type": "I/SigI",
          "value": 1.750
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 51.827
        },
        {
          "type": "CC(1/2)",
          "value": 0.656
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.560],
      "number_observations": 292632,
      "number_observations_unique": 5296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.515
        },
        {
          "type": "R(meas)",
          "value": 2.539
        },
        {
          "type": "I/SigI",
          "value": 3.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 55.255
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.730],
      "number_observations": 273320,
      "number_observations_unique": 5169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.257
        },
        {
          "type": "R(meas)",
          "value": 1.269
        },
        {
          "type": "I/SigI",
          "value": 6.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 52.877
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.950],
      "number_observations": 254495,
      "number_observations_unique": 4711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.671
        },
        {
          "type": "R(meas)",
          "value": 0.677
        },
        {
          "type": "I/SigI",
          "value": 10.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 54.021
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.230],
      "number_observations": 236387,
      "number_observations_unique": 4305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.328
        },
        {
          "type": "R(meas)",
          "value": 0.331
        },
        {
          "type": "I/SigI",
          "value": 19.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 54.910
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.160,3.610],
      "number_observations": 196245,
      "number_observations_unique": 3786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 27.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 51.834
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.090,4.160],
      "number_observations": 177393,
      "number_observations_unique": 3254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 35.350
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 54.515
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.150,5.090],
      "number_observations": 129714,
      "number_observations_unique": 2538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 35.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 51.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [49.970,7.150],
      "number_observations": 74228,
      "number_observations_unique": 1500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 40.180
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 49.485
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.970 49.970 2.730
High resolution limit [Å] 2.400 7.150 2.560
R(merge) 0.3150 0.1120 2.5150
R(meas) 0.3180 0.1140 2.5390
CC(1/2) 0.998 0.998 0.878
Completeness [%] 99.7 99.6 100.0
Multiplicity 53.2 49.5 55.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.970-7.150 0.1120 0.1140 0.998 99.6 49.5
7.150-5.090 0.1370 0.1380 0.998 100.0 51.1
5.090-4.160 0.1440 0.1450 0.998 100.0 54.5
4.160-3.610 0.1900 0.1920 0.997 100.0 51.8
3.610-3.230 0.3280 0.3310 0.996 100.0 54.9
3.230-2.950 0.6710 0.6770 0.986 100.0 54.0
2.950-2.730 1.2570 1.2690 0.962 100.0 52.9
2.730-2.560 2.5150 2.5390 0.878 100.0 55.3
2.560-2.400 4.6330 4.6780 0.656 98.7 51.8