Data quality metrics extracted from 3tid.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": "dc84ad513684a80b05674f89de9f9a4a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 172.261,
    "b": 47.649,
    "c": 70.539,
    "alpha": 90.00,
    "beta": 106.39,
    "gamma": 90.00
  },
  "wavelengths": [1.08900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45,1.65],
    "number_observations_unique": 64779,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.6
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.86],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [45.00,3.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    }
  ]

}
  

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


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