Data quality metrics extracted from 5sp6.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": "1a5e9039095b4a8abaa9dd45faffcd06",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.377,
    "b": 88.377,
    "c": 38.610,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77488],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.520,1.070],
    "number_observations": 825415,
    "number_observations_unique": 130600,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 6.810
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 6.320
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.140,1.070],
      "number_observations": 123490,
      "number_observations_unique": 20802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.610
        },
        {
          "type": "R(meas)",
          "value": 1.767
        },
        {
          "type": "I/SigI",
          "value": 0.690
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 5.936
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    },
    {
      "resolution_limits": [1.210,1.140],
      "number_observations": 117145,
      "number_observations_unique": 19604,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.993
        },
        {
          "type": "R(meas)",
          "value": 1.088
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 5.976
        },
        {
          "type": "CC(1/2)",
          "value": 0.714
        }
      ]
    },
    {
      "resolution_limits": [1.310,1.210],
      "number_observations": 123316,
      "number_observations_unique": 18493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.672
        },
        {
          "type": "R(meas)",
          "value": 0.729
        },
        {
          "type": "I/SigI",
          "value": 1.980
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.668
        },
        {
          "type": "CC(1/2)",
          "value": 0.885
        }
      ]
    },
    {
      "resolution_limits": [1.440,1.310],
      "number_observations": 113760,
      "number_observations_unique": 17071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.439
        },
        {
          "type": "R(meas)",
          "value": 0.476
        },
        {
          "type": "I/SigI",
          "value": 3.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.664
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.440],
      "number_observations": 101016,
      "number_observations_unique": 15357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "R(meas)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 5.950
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.578
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.610],
      "number_observations": 92417,
      "number_observations_unique": 13634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 10.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.778
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.270,1.850],
      "number_observations": 67822,
      "number_observations_unique": 11547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 16.370
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.874
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.270],
      "number_observations": 55550,
      "number_observations_unique": 9007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 22.610
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.167
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [39.520,3.200],
      "number_observations": 30899,
      "number_observations_unique": 5085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 26.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.520 39.520 1.210
High resolution limit [Å] 1.070 3.200 1.140
R(merge) 0.1070 0.0610 0.9930
R(meas) 0.1160 0.0660 1.0880
CC(1/2) 0.997 0.996 0.714
Completeness [%] 99.4 99.8 98.9
Multiplicity 6.3 7.1 6.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.520-3.200 0.0610 0.0660 0.996 99.8 7.1
3.200-2.270 0.0820 0.0900 0.995 99.8 6.2
2.270-1.850 0.1060 0.1160 0.992 99.7 5.9
1.850-1.610 0.1690 0.1830 0.986 100.0 6.8
1.610-1.440 0.2570 0.2790 0.972 99.2 6.6
1.440-1.310 0.4390 0.4760 0.937 100.0 6.7
1.310-1.210 0.6720 0.7290 0.885 100.0 6.7
1.210-1.140 0.9930 1.0880 0.714 98.9 6.0
1.140-1.070 1.6100 1.7670 0.481 98.4 5.9