Data quality metrics extracted from 2qmm.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": "993f68b513d0d8da277b1f6e808fe971",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 70.309,
    "b": 79.384,
    "c": 105.444,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.85],
    "number_observations_unique": 49604,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 33.3
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 9.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 1.97
        },
        {
          "type": "Completeness",
          "value": 90.4
        },
        {
          "type": "Redundancy",
          "value": 3.4
        }
      ]
    }
  ]

}
  

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


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