Data quality metrics extracted from 7r0t.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": "a23d39f09b3e0dbeb7222707157ca566",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 42.279,
    "b": 54.110,
    "c": 171.732,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.64880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.78,2.19],
    "number_observations_unique": 20566,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.136
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.19],
      "number_observations_unique": 1650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.187
        },
        {
          "type": "R(meas)",
          "value": 3.325
        },
        {
          "type": "R(pim)",
          "value": 0.935
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.792
        }
      ]
    }
  ]

}
  

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


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