Data quality metrics extracted from 5rtz.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": "482bc7a1d9f31138d216240ed1d94e72",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.858,
    "b": 88.858,
    "c": 39.550,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.88557],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.430,1.000],
    "number_observations": 1035143,
    "number_observations_unique": 164400,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 10.880
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 6.296
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.060,1.000],
      "number_observations": 143970,
      "number_observations_unique": 25136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.314
        },
        {
          "type": "R(meas)",
          "value": 1.445
        },
        {
          "type": "I/SigI",
          "value": 0.870
        },
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "Redundancy",
          "value": 5.728
        },
        {
          "type": "CC(1/2)",
          "value": 0.630
        }
      ]
    },
    {
      "resolution_limits": [1.130,1.060],
      "number_observations": 158497,
      "number_observations_unique": 25142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.610
        },
        {
          "type": "R(meas)",
          "value": 0.665
        },
        {
          "type": "I/SigI",
          "value": 2.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.304
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    },
    {
      "resolution_limits": [1.230,1.130],
      "number_observations": 153984,
      "number_observations_unique": 23370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "R(meas)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 4.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.589
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.230],
      "number_observations": 136657,
      "number_observations_unique": 21543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 6.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.343
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.340],
      "number_observations": 131453,
      "number_observations_unique": 19559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 10.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.721
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.500],
      "number_observations": 109435,
      "number_observations_unique": 17250,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 17.770
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.344
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.120,1.730],
      "number_observations": 92532,
      "number_observations_unique": 14619,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 26.080
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.330
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.120],
      "number_observations": 68464,
      "number_observations_unique": 11359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 31.450
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.027
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [44.430,3.000],
      "number_observations": 40151,
      "number_observations_unique": 6422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 34.640
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.252
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.430 44.430 1.130
High resolution limit [Å] 1.000 3.000 1.060
R(merge) 0.0600 0.0410 0.6100
R(meas) 0.0660 0.0450 0.6650
CC(1/2) 0.999 0.998 0.904
Completeness [%] 99.0 99.9 100.0
Multiplicity 6.3 6.3 6.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
44.430-3.000 0.0410 0.0450 0.998 99.9 6.3
3.000-2.120 0.0550 0.0600 0.997 99.8 6.0
2.120-1.730 0.0660 0.0730 0.996 99.8 6.3
1.730-1.500 0.0880 0.0960 0.995 99.9 6.3
1.500-1.340 0.1350 0.1470 0.992 100.0 6.7
1.340-1.230 0.2010 0.2200 0.986 100.0 6.3
1.230-1.130 0.3260 0.3540 0.972 100.0 6.6
1.130-1.060 0.6100 0.6650 0.904 100.0 6.3
1.060-1.000 1.3140 1.4450 0.630 93.9 5.7