Data quality metrics extracted from 8h0s.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": "0f44486f53e2bbc4691734d2f04a6e8a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.180,
    "b": 60.755,
    "c": 94.059,
    "alpha": 90.97,
    "beta": 93.10,
    "gamma": 101.55
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.88,2.90],
    "number_observations_unique": 18875,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "R(meas)",
        "value": 0.195
      },
      {
        "type": "R(pim)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 91.2
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.90],
      "number_observations_unique": 3264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.995
        },
        {
          "type": "R(meas)",
          "value": 1.169
        },
        {
          "type": "R(pim)",
          "value": 0.607
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.768
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 93.880 3.080
High resolution limit [Å] 2.900 2.900
R(merge) 0.1650 0.9950
R(meas) 0.1950 1.1690
R(pim) 0.1020 0.6070
CC(1/2) 0.992 0.768
Completeness [%] 91.2 97.5
Multiplicity 3.5 3.6


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
3.080-2.900 0.9950 1.1690 0.6070 0.768 97.5 3.6