Data quality metrics extracted from 9maa.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": "82f9d63ce53319deff299f9fe3b3a2a3",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 81.40,
    "b": 81.40,
    "c": 135.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.86,2.38],
    "number_observations": 415335,
    "number_observations_unique": 21391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.282
      },
      {
        "type": "R(meas)",
        "value": 0.289
      },
      {
        "type": "R(pim)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 19.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.38],
      "number_observations": 29320,
      "number_observations_unique": 1543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.664
        },
        {
          "type": "R(meas)",
          "value": 1.710
        },
        {
          "type": "R(pim)",
          "value": 0.390
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Redundancy",
          "value": 19.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.503
        }
      ]
    }
  ]

}
  

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


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