Data quality metrics extracted from 4nnt.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": "ff19771d4e30c3b2ca520a3170f8c265",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 32.49,
    "b": 53.87,
    "c": 75.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.84,1.53],
    "number_observations_unique": 20653,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.53],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.57],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.497
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.77],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        }
      ]
    }
  ]

}
  

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


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