Data quality metrics extracted from 9vrr.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": "8f71f005ba4f75d0f85b2633c738902f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.800,
    "b": 79.190,
    "c": 81.131,
    "alpha": 90.0,
    "beta": 111.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.84,1.95],
    "number_observations_unique": 51406,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1079
      },
      {
        "type": "R(meas)",
        "value": 0.1173
      },
      {
        "type": "R(pim)",
        "value": 0.04559
      },
      {
        "type": "I/SigI",
        "value": 10.48
      },
      {
        "type": "Completeness",
        "value": 99.89
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 5118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.042
        },
        {
          "type": "R(meas)",
          "value": 1.146
        },
        {
          "type": "R(pim)",
          "value": 0.4704
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.661
        }
      ]
    }
  ]

}
  

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


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