Data quality metrics extracted from 6tsf.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": "9699604024efe967dc599f4c5912c314",
  "space_group_name": "I 4 3 2",
  "unit_cell": {
    "a": 151.14,
    "b": 151.14,
    "c": 151.14,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97622,1.73891,1.74478],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [106.87,2.09],
    "number_observations_unique": 16631,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 26.8
      },
      {
        "type": "Completeness",
        "value": 93.5
      },
      {
        "type": "Redundancy",
        "value": 20.3
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.09],
      "number_observations_unique": 2531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.849
        },
        {
          "type": "R(meas)",
          "value": 0.887
        },
        {
          "type": "R(pim)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.15],
      "number_observations_unique": 2362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.305
        },
        {
          "type": "R(meas)",
          "value": 1.370
        },
        {
          "type": "R(pim)",
          "value": 0.303
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 20.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.794
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.30],
      "number_observations_unique": 1969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.583
        },
        {
          "type": "R(meas)",
          "value": 1.657
        },
        {
          "type": "R(pim)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 19.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.823
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 106.870 2.420 2.270
High resolution limit [Å] 2.090 2.300 2.150
R(merge) 0.0650 1.5830 1.3050
R(meas) 0.0690 1.6570 1.3700
R(pim) 0.0150 0.3750 0.3030
CC(1/2) 1.000 0.823 0.794
Completeness [%] 93.5 100.0 100.0
Multiplicity 20.3 19.3 20.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
2.420-2.300 1.5830 1.6570 0.3750 0.823 100.0 19.3
2.270-2.150 1.3050 1.3700 0.3030 0.794 100.0 20.1
2.200-2.090 0.8490 0.8870 0.1900 0.925 100.0 21.5