Data quality metrics extracted from 7h0o.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": "e33a26cef4cf8ef1eab45c24e7e1eeb8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.249,
    "b": 33.155,
    "c": 63.881,
    "alpha": 90.00,
    "beta": 100.94,
    "gamma": 90.00
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.74,1.18],
    "number_observations": 222250,
    "number_observations_unique": 41622,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 80.2
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.20,1.18],
      "number_observations": 566,
      "number_observations_unique": 470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.966
        },
        {
          "type": "R(meas)",
          "value": 1.347
        },
        {
          "type": "R(pim)",
          "value": 0.936
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.691
        }
      ]
    }
  ]

}
  

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


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