Data quality metrics extracted from 6c4g.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": "d7bb49a55ad40dd7943a69d3df36939a",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 61.541,
    "b": 91.192,
    "c": 176.038,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.996,2.390],
    "number_observations_unique": 19919,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.164
      },
      {
        "type": "R(meas)",
        "value": 0.171
      },
      {
        "type": "I/SigI",
        "value": 12.980
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 13.301
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.530,2.390],
      "number_observations_unique": 3046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.656
        },
        {
          "type": "R(meas)",
          "value": 1.721
        },
        {
          "type": "I/SigI",
          "value": 1.440
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 13.410
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.530],
      "number_observations_unique": 3013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.107
        },
        {
          "type": "R(meas)",
          "value": 1.151
        },
        {
          "type": "I/SigI",
          "value": 2.310
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.446
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.710],
      "number_observations_unique": 2803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.700
        },
        {
          "type": "R(meas)",
          "value": 0.729
        },
        {
          "type": "I/SigI",
          "value": 3.740
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.026
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.930],
      "number_observations_unique": 2579,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.381
        },
        {
          "type": "R(meas)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 7.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.966
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.200],
      "number_observations_unique": 2341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 13.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.541
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.580],
      "number_observations_unique": 2097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 22.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.736
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.050,4.130],
      "number_observations_unique": 1787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 34.340
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.413
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.100,5.050],
      "number_observations_unique": 1409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 29.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.250
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [48.996,7.100],
      "number_observations_unique": 844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 41.550
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 11.853
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.996 48.996 2.710
High resolution limit [Å] 2.390 7.100 2.530
R(merge) 0.1640 0.0490 1.1070
R(meas) 0.1710 0.0520 1.1510
CC(1/2) 0.998 0.999 0.769
Completeness [%] 99.4 99.8 100.0
Multiplicity 13.3 11.9 13.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
48.996-7.100 0.0490 0.0520 0.999 99.8 11.9
7.100-5.050 0.0850 0.0880 0.998 100.0 13.3
5.050-4.130 0.0730 0.0760 0.998 100.0 13.4
4.130-3.580 0.1110 0.1160 0.997 100.0 12.7
3.580-3.200 0.1930 0.2010 0.992 100.0 13.5
3.200-2.930 0.3810 0.3950 0.971 100.0 14.0
2.930-2.710 0.7000 0.7290 0.898 100.0 13.0
2.710-2.530 1.1070 1.1510 0.769 100.0 13.4
2.530-2.390 1.6560 1.7210 0.564 96.5 13.4