Data quality metrics extracted from 8gsw.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": "9ba6df18ffed948729afe69142166e93",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.979,
    "b": 92.788,
    "c": 116.710,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.12000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.880,1.400],
    "number_observations": 827153,
    "number_observations_unique": 118306,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 12.450
      },
      {
        "type": "Completeness",
        "value": 97.400
      },
      {
        "type": "Redundancy",
        "value": 6.992
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.490,1.400],
      "number_observations": 120876,
      "number_observations_unique": 18521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.994
        },
        {
          "type": "R(meas)",
          "value": 1.079
        },
        {
          "type": "I/SigI",
          "value": 1.960
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 6.526
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    },
    {
      "resolution_limits": [1.590,1.490],
      "number_observations": 118811,
      "number_observations_unique": 17593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.574
        },
        {
          "type": "R(meas)",
          "value": 0.621
        },
        {
          "type": "I/SigI",
          "value": 3.480
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 6.753
        },
        {
          "type": "CC(1/2)",
          "value": 0.874
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.590],
      "number_observations": 114943,
      "number_observations_unique": 16569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "R(meas)",
          "value": 0.373
        },
        {
          "type": "I/SigI",
          "value": 5.720
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 6.937
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.720],
      "number_observations": 109614,
      "number_observations_unique": 15340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.223
        },
        {
          "type": "I/SigI",
          "value": 9.010
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 7.146
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.100,1.880],
      "number_observations": 101522,
      "number_observations_unique": 14005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 14.300
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 7.249
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.100],
      "number_observations": 89133,
      "number_observations_unique": 12464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 20.720
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 7.151
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.430],
      "number_observations": 77611,
      "number_observations_unique": 10653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 25.140
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 7.285
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.200,2.970],
      "number_observations": 61620,
      "number_observations_unique": 8394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 30.670
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.341
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [35.880,4.200],
      "number_observations": 33023,
      "number_observations_unique": 4767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 33.290
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 6.927
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 35.880 35.880 1.590
High resolution limit [Å] 1.400 4.200 1.490
R(merge) 0.0840 0.0530 0.5740
R(meas) 0.0900 0.0580 0.6210
CC(1/2) 0.998 0.997 0.874
Completeness [%] 97.4 98.1 96.3
Multiplicity 7.0 6.9 6.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
35.880-4.200 0.0530 0.0580 0.997 98.1 6.9
4.200-2.970 0.0550 0.0600 0.997 99.4 7.3
2.970-2.430 0.0640 0.0690 0.997 99.1 7.3
2.430-2.100 0.0820 0.0880 0.996 98.7 7.2
2.100-1.880 0.1200 0.1290 0.993 98.1 7.2
1.880-1.720 0.2070 0.2230 0.982 97.7 7.1
1.720-1.590 0.3460 0.3730 0.950 97.0 6.9
1.590-1.490 0.5740 0.6210 0.874 96.3 6.8
1.490-1.400 0.9940 1.0790 0.672 95.1 6.5