Data quality metrics extracted from 5sru.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": "3c185a30505be75c63659145bdc805a0",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.807,
    "b": 88.807,
    "c": 39.530,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.88572],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.720,1.050],
    "number_observations": 929900,
    "number_observations_unique": 142473,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 15.080
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 6.527
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.120,1.050],
      "number_observations": 143469,
      "number_observations_unique": 22720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.363
        },
        {
          "type": "R(meas)",
          "value": 1.486
        },
        {
          "type": "I/SigI",
          "value": 1.290
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.315
        },
        {
          "type": "CC(1/2)",
          "value": 0.714
        }
      ]
    },
    {
      "resolution_limits": [1.190,1.120],
      "number_observations": 139316,
      "number_observations_unique": 21587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.753
        },
        {
          "type": "R(meas)",
          "value": 0.820
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.454
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.190],
      "number_observations": 131067,
      "number_observations_unique": 20160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.442
        },
        {
          "type": "R(meas)",
          "value": 0.481
        },
        {
          "type": "I/SigI",
          "value": 4.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.501
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [1.410,1.290],
      "number_observations": 122787,
      "number_observations_unique": 18552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 6.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.619
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [1.580,1.410],
      "number_observations": 111719,
      "number_observations_unique": 16761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 11.890
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.665
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.580],
      "number_observations": 99679,
      "number_observations_unique": 14819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 22.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.726
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.230,1.820],
      "number_observations": 82045,
      "number_observations_unique": 12570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 37.680
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.527
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.230],
      "number_observations": 64634,
      "number_observations_unique": 9786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 53.040
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.605
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [39.720,3.150],
      "number_observations": 35184,
      "number_observations_unique": 5518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 62.460
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.376
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.720 39.720 1.190
High resolution limit [Å] 1.050 3.150 1.120
R(merge) 0.0490 0.0260 0.7530
R(meas) 0.0530 0.0280 0.8200
CC(1/2) 1.000 0.999 0.888
Completeness [%] 99.7 99.6 99.9
Multiplicity 6.5 6.4 6.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.720-3.150 0.0260 0.0280 0.999 99.6 6.4
3.150-2.230 0.0320 0.0340 0.999 99.8 6.6
2.230-1.820 0.0430 0.0460 0.999 99.8 6.5
1.820-1.580 0.0740 0.0810 0.998 99.9 6.7
1.580-1.410 0.1430 0.1550 0.994 99.9 6.7
1.410-1.290 0.2700 0.2940 0.982 100.0 6.6
1.290-1.190 0.4420 0.4810 0.958 100.0 6.5
1.190-1.120 0.7530 0.8200 0.888 99.9 6.5
1.120-1.050 1.3630 1.4860 0.714 98.9 6.3