Data quality metrics extracted from 8h8h.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": "9cc948349406d4c95920962f2bf2aa93",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.692,
    "b": 63.303,
    "c": 275.872,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,2.70000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.64,2.70],
    "number_observations_unique": 22936,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.140
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 98.92
      },
      {
        "type": "Redundancy",
        "value": 13.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.70],
      "number_observations_unique": 2231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.355
        },
        {
          "type": "R(meas)",
          "value": 0.481
        },
        {
          "type": "R(pim)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 98.75
        },
        {
          "type": "Redundancy",
          "value": 13.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [3.18,3.00],
      "number_observations_unique": 2447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        },
        {
          "type": "R(pim)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 92.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.640 3.180 3.180
High resolution limit [Å] 2.700 3.000 3.000
R(merge) 0.1400 0.4710 0.4710
R(meas) 0.1460 - -
R(pim) 0.0410 0.0950 0.0950
CC(1/2) - 0.996 0.996
Completeness [%] 98.9 92.4 92.4
Multiplicity 13.1 - -


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
3.180-3.000 0.4710 - 0.0950 0.996 92.4 -
2.830-2.700 1.3550 0.4810 0.3750 0.956 98.8 13.8