Data quality metrics extracted from 5esd.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": "963fb370a1cf4b7199053815edb2f98d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 98.625,
    "b": 138.657,
    "c": 165.386,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95369],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.811,2.250],
    "number_observations": 4650184,
    "number_observations_unique": 107885,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.430
      },
      {
        "type": "R(pim)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 14.700
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 43.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.290,2.250],
      "number_observations": 197267,
      "number_observations_unique": 5270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.410
        },
        {
          "type": "R(pim)",
          "value": 1.054
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 37.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.615
        }
      ]
    },
    {
      "resolution_limits": [19.810,12.320],
      "number_observations": 21820,
      "number_observations_unique": 573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(pim)",
          "value": 0.007
        },
        {
          "type": "I/SigI",
          "value": 83.800
        },
        {
          "type": "Completeness",
          "value": 76.800
        },
        {
          "type": "Redundancy",
          "value": 38.100
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 19.811 19.810 19.810
High resolution limit [Å] 2.250 12.320 12.320
R(merge) 0.4300 0.0450 0.0450
R(pim) 0.0660 0.0070 0.0070
CC(1/2) 0.997 1.000 1.000
Completeness [%] 99.8 76.8 76.8
Multiplicity 43.1 38.1 38.1


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
19.810-12.320 0.0450 0.0070 1.000 76.8 38.1
2.290-2.250 6.4100 1.0540 0.615 100.0 37.4