Data quality metrics extracted from 3al4.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": "3e60e49a74d53207c23bcb72b969ee0b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.020,
    "b": 115.190,
    "c": 114.985,
    "alpha": 62.31,
    "beta": 77.94,
    "gamma": 81.05
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.872],
    "number_observations_unique": 64796,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10500
      },
      {
        "type": "I/SigI",
        "value": 12.900
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.87],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.50100
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 90.7
        },
        {
          "type": "Redundancy",
          "value": 2.70
        }
      ]
    }
  ]

}
  

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


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