Data quality metrics extracted from 5otw.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": "0774da7b1ceb8a8ff2f170d5d61725bb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.26,
    "b": 81.20,
    "c": 42.74,
    "alpha": 90.00,
    "beta": 98.67,
    "gamma": 90.00
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.26,2.1],
    "number_observations_unique": 15304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(pim)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations": 4245,
      "number_observations_unique": 767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.980
        },
        {
          "type": "R(meas)",
          "value": 1.086
        },
        {
          "type": "R(pim)",
          "value": 0.459
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 95.64
        },
        {
          "type": "Redundancy",
          "value": 5.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    }
  ]

}
  

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


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