Data quality metrics extracted from 3qi8.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": "f88affa2830ecc84f7afa5121b647831",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 82.35,
    "b": 83.77,
    "c": 143.02,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.4,3.1],
    "number_observations_unique": 17710,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 10.8
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.27,3.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [3.71,3.47],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    },
    {
      "resolution_limits": [4.38,4.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.6
        }
      ]
    },
    {
      "resolution_limits": [4.9,4.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [5.66,4.9],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    },
    {
      "resolution_limits": [6.93,5.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    },
    {
      "resolution_limits": [9.8,6.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [45.4,9.8],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    }
  ]

}
  

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


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