Data quality metrics extracted from 7la3.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": "e4cea2662b076d1bde07847f226ac923",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.318,
    "b": 58.245,
    "c": 69.095,
    "alpha": 90.000,
    "beta": 112.744,
    "gamma": 90.000
  },
  "wavelengths": [0.77500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.17,1.349],
    "number_observations_unique": 85576,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 93.0
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.349],
      "number_observations_unique": 4083,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.384
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.264
        }
      ]
    }
  ]

}
  

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


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