Data quality metrics extracted from 5sqt.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": "78c5b3d49597973bfd997b7d8fb63714",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.803,
    "b": 88.803,
    "c": 39.608,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.710,1.050],
    "number_observations": 910144,
    "number_observations_unique": 143003,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 10.970
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.365
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.120,1.050],
      "number_observations": 142138,
      "number_observations_unique": 22769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.584
        },
        {
          "type": "R(meas)",
          "value": 0.638
        },
        {
          "type": "I/SigI",
          "value": 1.810
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 6.243
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    },
    {
      "resolution_limits": [1.190,1.120],
      "number_observations": 139189,
      "number_observations_unique": 21685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "R(meas)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 3.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.419
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.190],
      "number_observations": 130767,
      "number_observations_unique": 20195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "I/SigI",
          "value": 4.980
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.475
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.410,1.290],
      "number_observations": 122752,
      "number_observations_unique": 18633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(meas)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 7.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.588
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [1.580,1.410],
      "number_observations": 110598,
      "number_observations_unique": 16819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 12.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.576
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.580],
      "number_observations": 95307,
      "number_observations_unique": 14886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 18.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.402
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.230,1.820],
      "number_observations": 75254,
      "number_observations_unique": 12647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 23.690
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.950
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.230],
      "number_observations": 59808,
      "number_observations_unique": 9823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 28.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.089
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [39.710,3.150],
      "number_observations": 34331,
      "number_observations_unique": 5546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 30.280
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.190
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.710 39.710 1.190
High resolution limit [Å] 1.050 3.150 1.120
R(merge) 0.0660 0.0450 0.3500
R(meas) 0.0720 0.0490 0.3820
CC(1/2) 0.999 0.998 0.965
Completeness [%] 99.8 99.9 100.0
Multiplicity 6.4 6.2 6.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.710-3.150 0.0450 0.0490 0.998 99.9 6.2
3.150-2.230 0.0620 0.0670 0.997 100.0 7.1
2.230-1.820 0.0730 0.0800 0.996 100.0 6.0
1.820-1.580 0.0910 0.0990 0.995 100.0 6.4
1.580-1.410 0.1250 0.1360 0.993 100.0 6.6
1.410-1.290 0.1700 0.1850 0.990 100.0 6.6
1.290-1.190 0.2300 0.2510 0.984 100.0 6.5
1.190-1.120 0.3500 0.3820 0.965 100.0 6.4
1.120-1.050 0.5840 0.6380 0.913 98.8 6.2