Data quality metrics extracted from 5sp4.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": "b641f753b3399ec17cb8de0bd27330e2",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.670,
    "b": 88.670,
    "c": 39.254,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77487],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.650,1.060],
    "number_observations": 929802,
    "number_observations_unique": 139186,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 6.870
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.680
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.120,1.060],
      "number_observations": 137349,
      "number_observations_unique": 22205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.342
        },
        {
          "type": "R(meas)",
          "value": 1.468
        },
        {
          "type": "I/SigI",
          "value": 0.690
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.185
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    },
    {
      "resolution_limits": [1.200,1.120],
      "number_observations": 138468,
      "number_observations_unique": 21040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "R(meas)",
          "value": 0.637
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.581
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.200],
      "number_observations": 138225,
      "number_observations_unique": 19665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "R(meas)",
          "value": 0.352
        },
        {
          "type": "I/SigI",
          "value": 3.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.029
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.290],
      "number_observations": 124738,
      "number_observations_unique": 18095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "R(meas)",
          "value": 0.238
        },
        {
          "type": "I/SigI",
          "value": 5.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.894
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [1.590,1.420],
      "number_observations": 104249,
      "number_observations_unique": 16413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "I/SigI",
          "value": 7.620
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.352
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.590],
      "number_observations": 104135,
      "number_observations_unique": 14496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.184
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.240,1.830],
      "number_observations": 84652,
      "number_observations_unique": 12304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 15.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.880
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.240],
      "number_observations": 59839,
      "number_observations_unique": 9552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 16.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.265
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [39.650,3.160],
      "number_observations": 38147,
      "number_observations_unique": 5416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 18.810
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.650 39.650 1.200
High resolution limit [Å] 1.060 3.160 1.120
R(merge) 0.1130 0.0950 0.5850
R(meas) 0.1220 0.1030 0.6370
CC(1/2) 0.995 0.992 0.905
Completeness [%] 99.8 99.9 99.8
Multiplicity 6.7 7.0 6.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.650-3.160 0.0950 0.1030 0.992 99.9 7.0
3.160-2.240 0.1060 0.1160 0.990 100.0 6.3
2.240-1.830 0.1210 0.1300 0.989 100.0 6.9
1.830-1.590 0.1380 0.1490 0.988 100.0 7.2
1.590-1.420 0.1610 0.1760 0.986 99.9 6.4
1.420-1.290 0.2190 0.2380 0.980 100.0 6.9
1.290-1.200 0.3250 0.3520 0.970 100.0 7.0
1.200-1.120 0.5850 0.6370 0.905 99.8 6.6
1.120-1.060 1.3420 1.4680 0.604 99.0 6.2