Data quality metrics extracted from 7r50.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": "cfe7e29e85b0658499be41ea032881e1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 104.788,
    "b": 105.098,
    "c": 170.468,
    "alpha": 76.916,
    "beta": 81.857,
    "gamma": 69.013
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.69,2.5],
    "number_observations_unique": 208443,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1364
      },
      {
        "type": "R(meas)",
        "value": 0.185
      },
      {
        "type": "R(pim)",
        "value": 0.1241
      },
      {
        "type": "I/SigI",
        "value": 5.27
      },
      {
        "type": "Completeness",
        "value": 90.06
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 21247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.632
        },
        {
          "type": "R(meas)",
          "value": 2.22
        },
        {
          "type": "R(pim)",
          "value": 1.495
        },
        {
          "type": "I/SigI",
          "value": 0.58
        },
        {
          "type": "Completeness",
          "value": 86.46
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.293
        }
      ]
    }
  ]

}
  

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


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