Data quality metrics extracted from 5qus.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": "121ffc2894fecc9952b0951730aefd33",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.984,
    "b": 61.648,
    "c": 86.638,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95350],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.319,1.250],
    "number_observations": 397258,
    "number_observations_unique": 58971,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 22.860
      },
      {
        "type": "Completeness",
        "value": 97.600
      },
      {
        "type": "Redundancy",
        "value": 6.736
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.320,1.250],
      "number_observations": 49856,
      "number_observations_unique": 8838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 7.410
        },
        {
          "type": "Completeness",
          "value": 91.900
        },
        {
          "type": "Redundancy",
          "value": 5.641
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [1.410,1.320],
      "number_observations": 62195,
      "number_observations_unique": 9039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "R(meas)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 10.200
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.881
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.530,1.410],
      "number_observations": 59315,
      "number_observations_unique": 8457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 14.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.014
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.530],
      "number_observations": 55674,
      "number_observations_unique": 7821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 20.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [1.870,1.670],
      "number_observations": 50622,
      "number_observations_unique": 7081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 27.170
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.160,1.870],
      "number_observations": 44481,
      "number_observations_unique": 6280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 35.280
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.083
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.160],
      "number_observations": 37071,
      "number_observations_unique": 5353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 42.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.925
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.730,2.640],
      "number_observations": 26872,
      "number_observations_unique": 4116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 44.670
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 6.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [43.319,3.730],
      "number_observations": 11172,
      "number_observations_unique": 1986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 43.990
        },
        {
          "type": "Completeness",
          "value": 80.600
        },
        {
          "type": "Redundancy",
          "value": 5.625
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.319 43.319 1.410
High resolution limit [Å] 1.250 3.730 1.320
R(merge) 0.0550 0.0340 0.1940
R(meas) 0.0590 0.0370 0.2100
CC(1/2) 0.999 0.998 0.984
Completeness [%] 97.6 80.6 99.7
Multiplicity 6.7 5.6 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.319-3.730 0.0340 0.0370 0.998 80.6 5.6
3.730-2.640 0.0360 0.0390 0.998 97.8 6.5
2.640-2.160 0.0400 0.0430 0.998 99.6 6.9
2.160-1.870 0.0470 0.0500 0.998 99.8 8.1
1.870-1.670 0.0630 0.0680 0.998 99.9 7.1
1.670-1.530 0.0900 0.0970 0.996 99.9 7.1
1.530-1.410 0.1310 0.1410 0.993 99.9 7.0
1.410-1.320 0.1940 0.2100 0.984 99.7 6.9
1.320-1.250 0.2360 0.2600 0.964 91.9 5.6