Data quality metrics extracted from 6nti.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": "68792257ceafcd4c37963134f0335f87",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 51.359,
    "b": 86.058,
    "c": 77.597,
    "alpha": 90.00,
    "beta": 93.98,
    "gamma": 90.00
  },
  "wavelengths": [1.54180,2.00000,4.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.300],
    "number_observations_unique": 13955,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06100
      },
      {
        "type": "I/SigI",
        "value": 14.7000
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34700
        },
        {
          "type": "I/SigI",
          "value": 3.340
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "Redundancy",
          "value": 2.90
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24400
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 70.3
        },
        {
          "type": "Redundancy",
          "value": 1.93
        }
      ]
    }
  ]

}
  

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


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