Data quality metrics extracted from 7ave.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": "d03db287ef96083928b2472f509aad84",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.67,
    "b": 30.97,
    "c": 33.74,
    "alpha": 89.439,
    "beta": 72.818,
    "gamma": 67.503
  },
  "wavelengths": [0.72930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.01,0.98],
    "number_observations_unique": 52966,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0424
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.0470
      },
      {
        "type": "I/SigI",
        "value": 18.09
      },
      {
        "type": "Completeness",
        "value": 97.44
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.015,0.98],
      "number_observations_unique": 5018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "R(pim)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 4.21
        },
        {
          "type": "Completeness",
          "value": 92.67
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.935
        }
      ]
    }
  ]

}
  

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


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