Data quality metrics extracted from 38yy.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "de1e85595847aea933c8ada0dce1ac04",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 66.939,
    "b": 171.320,
    "c": 173.667,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.96,2.79],
    "number_observations": 686655,
    "number_observations_unique": 50681,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.292
      },
      {
        "type": "R(meas)",
        "value": 0.304
      },
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.79],
      "number_observations": 52308,
      "number_observations_unique": 3662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.843
        },
        {
          "type": "R(meas)",
          "value": 1.911
        },
        {
          "type": "R(pim)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 14.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.730
        }
      ]
    }
  ]

}
  

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


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