Data quality metrics extracted from 1vlq.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": "1f268b9168dbca1ad1c5f4a5aadea72e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 152.640,
    "b": 130.952,
    "c": 157.815,
    "alpha": 90.00,
    "beta": 118.93,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97913],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.56,2.100],
    "number_observations_unique": 293140,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 93.0
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "number_observations_unique": 30908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 67.2
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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