Data quality metrics extracted from 7h0l.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": "83dbeed04f8fdf50abbfe6c585675de3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.396,
    "b": 33.198,
    "c": 125.159,
    "alpha": 90.00,
    "beta": 97.07,
    "gamma": 90.00
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.40,1.59],
    "number_observations": 289689,
    "number_observations_unique": 42713,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.226
      },
      {
        "type": "R(meas)",
        "value": 0.245
      },
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.59],
      "number_observations": 12426,
      "number_observations_unique": 2043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.098
        },
        {
          "type": "R(meas)",
          "value": 2.298
        },
        {
          "type": "R(pim)",
          "value": 0.925
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.449
        }
      ]
    }
  ]

}
  

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


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